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Jinan Trio PharmaTech Co., Ltd.

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Profile: Jinan Trio PharmaTech Co., Ltd. specializes in APIs & intermediates, heterocyclic compounds, and anti-tumor drugs. Our products include crizotinib, vemurafenib, afatinib, vandetanib, regorafenib, brivanib alaninate, pyridazine, imidazole, pyrazole, and oxazole. We are specialized in providing over 1000 products including molecular targeted anticancer drugs, cell signaling pathway inhibitors, pharmaceutical intermediates, and heterocyclic compounds, and quality services including custom synthesis, transfer of new drug patent and technology, technical cooperation, and process optimization.

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• FMK
IUPAC Name: 1-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-6-yl]-2-fluoroethanone | CAS Registry Number: 821794-92-7
Synonyms: AC1LD8U9, CHEMBL515414, CHEBI:558490, HY-52101A, CS-0648, QC-8903, KB-77351, fluoromethylketone-pyrrolopyrimidine scaffold, FMK|821794-92-7, S7064,1111636-35-1, 1-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-fluoroethanone, 1-[4-Amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-fluoroethanone, 1-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-6-yl]-2-fluoroethanone, ethanone, 1-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-fluoro-, Ethanone, 1-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-fluoro- (9CI)

Molecular Formula: C18H19FN4O2Molecular Weight: 342.367463 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: IKLGYJACVCXYIL-UHFFFAOYSA-N

• Foretinib
IUPAC Name: 1-N'-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | CAS Registry Number: 849217-64-7
Synonyms: XL880, GSK089, GSK1363089, EXEL-2880, XL-880, GSK 1363089, S1111_Selleck, GSK1363089G, XL 880, GSK-1363089, CHEMBL1230609, Foretinib (XL-880), GSK089, EXEL-2880, 849217-64-7, GSK1363089, GSK089, foretinib, EXEL-2880, XL880, 88Z, 937176-80-2, N-[3-Fluoro-4-[[6-methoxy-7-[3-(4-morpholinyl)propoxy]-4-quinolinyl]oxy]phenyl]-N'-(4-fluorophenyl)-1,1-cyclopropanedicarboxamide, EXEL 2880, n-(3-fluoro-4-((6-methoxy-7-(3-(4-morpholinyl)propoxy)-4-quinolinyl)oxy)phenyl)-n'-(4-fluorophenyl)-1,1-cyclopropanedicarboxamide, PubChem22993

Molecular Formula: C34H34F2N4O6Molecular Weight: 632.653766 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 10

InChIKey: CXQHYVUVSFXTMY-UHFFFAOYSA-N

• FORMAMIDE,N-1H-BENZO[D]IMIDAZOL-4-YL-
IUPAC Name: N-(1H-benzimidazol-4-yl)formamide | CAS Registry Number: 137654-47-8
Synonyms: N-(1H-Benzo[d]imidazol-4-yl)formamide, CTK8C2323, MolPort-004-752-554, ANW-68204, AKOS016007144, AK-80616

Molecular Formula: C8H7N3OMolecular Weight: 161.160680 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: LGITZGIQYPDWBF-UHFFFAOYSA-N

• Fosbretabulin Disodium
IUPAC Name: disodium;[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate | CAS Registry Number: 168555-66-6
Synonyms: Fosbretabulin disodium, CA4DP, Zybrestat, Combretastatin A4 disodium phosphate, Fosbretabulin disodium (USAN), Fosbretabulin disodium [USAN], Combretastatin A-4 phosphate, CA4P, AC1OCF9S, SureCN321426, CA 4P, CA-4P, UNII-702RHR475O, CHEMBL289351, CHEBI:152812, ACT03122, BCP9000542, NSC-752293, Combretastatin A4 Phosphate Disodium Salt, D09346

Molecular Formula: C18H19Na2O8PMolecular Weight: 440.291961 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: VXNQMUVMEIGUJW-XNOMRPDFSA-L

• Fostamatinib
IUPAC Name: [6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl]methyl dihydrogen phosphate | CAS Registry Number: 901119-35-5
Synonyms: R788, Fostamatinib, R7935788, R 788, 2H-Pyrido(3,2-b)-1,4-oxazin-3(4H)-one, 6-((5-fluoro-2-((3,4,5-trimethoxyphenyl)amino)-4-pyrimidinyl)amino)-2,2-dimethyl-4-((phosphonooxy)methyl)-, 2H-Pyrido[3,2-b]-1,4-oxazin-3(4H)-one, 6-[[5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]-4-pyrimidinyl]amino]-2,2-dimethyl-4-[(phosphonooxy)methyl]-, R788 compound, Fostamatinib (USAN), S2625_Selleck, R-788 Free acid, R788 (Fostamatinib), AGN-PC-00DTWF, Fostamatinib [USAN:INN], R788 FREE ACID, R-935788 Free acid, SureCN1201371, UNII-SQ8A3S5101, QCR-82, CHEMBL2103830, R935788 FREE ACID, BCPP000226

Molecular Formula: C23H26FN6O9PMolecular Weight: 580.459505 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 15

InChIKey: GKDRMWXFWHEQQT-UHFFFAOYSA-N

• Fostamatinib Disodium
IUPAC Name: disodium;[6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl]methyl phosphate | CAS Registry Number: 1025687-58-4
Synonyms: Fostamatinib disodium, R 788 sodium, R788, 1025687-58-4, Fostamatinib disodium, R935788, R 935788 sodium, R788, FosD, tamatinib fosdium, R-935788, S2206_Selleck, R-788 Sodium, R-935788 Sodium, cc-28, SureCN3657651, Fostamatinib disodium anhydrous, CHEMBL2105644, MolPort-016-633-314, UNII-X9417132K8, R935788 - Fostamatinib disodium, R788-Supplied by Selleck Chemicals, ABP000970, RL00119

Molecular Formula: C23H24FN6Na2O9PMolecular Weight: 624.423164 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 15

InChIKey: HSYBQXDGYCYSGA-UHFFFAOYSA-L

• FURO[2,3-C]PYRIDIN-3(2H)-ONE
IUPAC Name: furo[2,3-c]pyridin-3-one | CAS Registry Number: 106531-52-6
Synonyms: AG-D-21014, PubChem24154, ACMC-20c3nr, SureCN4822863, AGN-PC-000OO8, Furo[2,3-c]pyridin-3-one;, CTK0H2643, MolPort-004-757-821, RW3067, AKOS016011729, QC-1965, AK123377, Furo[2,3-c]pyridin-3(2H)-one (9CI), KB-254121, A22248

Molecular Formula: C7H5NO2Molecular Weight: 135.120100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: KHRZFVYHKRMYLE-UHFFFAOYSA-N

• FURO[2,3-C]PYRIDIN-3(2H)-ONE HYDROCHLORIDE
IUPAC Name: furo[2,3-c]pyridin-3-one;hydrochloride | CAS Registry Number: 106531-51-5
Synonyms: Furo[2,3-c]pyridin-3(2H)-one hydrochloride, SureCN3597821, KB-254122

Molecular Formula: C7H6ClNO2Molecular Weight: 171.581040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FWVRHCYASFZWGO-UHFFFAOYSA-N

• FURO[3,2-B]PYRIDIN-3(2H)-ONE
IUPAC Name: furo[3,2-b]pyridin-3-one | CAS Registry Number: 119293-03-7
Synonyms: furo[3,2-b]pyridin-3(2H)-one, ACMC-20moa7, furo[4,5-b]pyridin-3-one, SCHEMBL4507981, CTK0H3171, PBITTYWTCTZBSX-UHFFFAOYSA-N, AKOS023833178, ZINC100089873, FCH1187044, QC-1127, SC-87703, AB0088768

Molecular Formula: C7H5NO2Molecular Weight: 135.120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: PBITTYWTCTZBSX-UHFFFAOYSA-N

• Gabexate mesylate
IUPAC Name: [N'-[6-(4-ethoxycarbonylphenoxy)-6-oxohexyl]carbamimidoyl]azanium; methanesulfonate | CAS Registry Number: 56974-61-9
Synonyms: Gabexate mesilate, Gabexate monomethanesulfonate, Gabexato mesilato [Spanish], C16H23N3O4.CH4O3S, LS-35906, Ethyl p-(6-guanidinohexanoxyloxy)benzoate methanesulfonate, Ethyl p-(6-guanidinohexanoyloxy) benzoate methanesulfonate, p-Hydroxybenzoic acid ethyl ester 6-guanidinohexanoate mesilate, Benzoic acid, 4-((6-((aminoiminomethyl)amino)-1-oxohexyl)oxy)-, ethyl ester, monomethanesulfonate, FOY, BENZOIC ACID, 4-((6-((AMINOIMINOMETHYL)AMINO)-1-OXOHEXYL)OXY)-, ETHYL ESTER, MON, 39492-01-8, Benzoic acid, 4-((6-((aminoiminomethyl)amino)-1-oxohexyl)oxy)-, ethyl ester,monomethanesulfonate

Molecular Formula: C17H27N3O7SMolecular Weight: 417.477180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 9

InChIKey: DNTNDFLIKUKKOC-UHFFFAOYSA-N

• Galunisertib
IUPAC Name: 4-[2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide | CAS Registry Number: 700874-72-2
Synonyms: LY 2157299, LY2157299, LY-2157299, Galunisertib (USAN), Galunisertib [USAN], 4-(2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-6-carboxamide, LY-2157299,LY 2157299, 700874-72-2, 4-[2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide, 6-Quinolinecarboxamide, 4-(5,6-dihydro-2-(6-methyl-2-pyridinyl)-4H-pyrrolo(1,2-b)pyrazol-3-yl)-, 6-Quinolinecarboxamide, 4-[5,6-dihydro-2-(6-methyl-2-pyridinyl)-4H-pyrrolo[1,2-b]pyrazol-3-yl]-, S2230_Selleck, PubChem22590, cc-8, UNII-3OKH1W5LZE, SureCN12922153, CHEMBL2364611, CTK2G3146, QCR-234, MolPort-020-000-498, CS-0474

Molecular Formula: C22H19N5OMolecular Weight: 369.419160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: IVRXNBXKWIJUQB-UHFFFAOYSA-N

• Gandotinib
IUPAC Name: 3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine | CAS Registry Number: 1229236-86-5
Synonyms: LY2784544, GANDOTINIB, LY-2784544, Gandotinib (USAN), Gandotinib [USAN], LY 2784544, LY2784544, LY 2784544, S2179_Selleck, cc-18, SureCN2513132, UNII-ANC71R916O, CHEMBL2107823, MolPort-016-633-296, BCP9000875, CS-0426, QC-8978, RL01055, NCGC00345461-02, HY-13034, LY2784544-Supplied by Selleck Chemicals

Molecular Formula: C23H25ClFN7OMolecular Weight: 469.942303 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: SQSZANZGUXWJEA-UHFFFAOYSA-N

• Ganetespib
IUPAC Name: (5Z)-5-(4-hydroxy-6-oxo-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)-4-(1-methylindol-5-yl)-1,2,4-triazolidin-3-one | CAS Registry Number: 888216-25-9
Synonyms: STA9090, UNII-2E8412Y946, STA-9090, Ganetespib (USAN), Ganetespib,STA-9090, Ganetespib [USAN:INN], Ganetespib - STA-9090, CHEMBL2103879, QCR-148, BCP0726000115, 2E8412Y946, D10126, 3H-1,2,4-Triazol-3-one, 5-(2,4-dihydroxy-5-(1-methylethyl)phenyl)-2,4-dihydro-4-(1- methyl-1H-indol-5-yl)-, 5-(2,4-Dihydroxy-5-(1-methylethyl)phenyl)-4-(1-methyl-1H-indol-5-yl)-2,4-dihydro-3H- 1,2,4-triazol-3-one, 5-[2,4-Dihydroxy-5-(1-methylethyl)phenyl]-2,4-dihydro-4-(1-methyl-1H-indol-5-yl)-3H-1,2,4-triazol-3-one, 5-[2,4-Dihydroxy-5-(Propan-2-Yl)phenyl]-4-(1-Methyl-1h-Indol-5-Yl)-2,4-Dihydro-3h-1,2,4-Triazol-3-One, TUH

Molecular Formula: C20H20N4O3Molecular Weight: 364.397800 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: MWTUOSWPJOUADP-XDJHFCHBSA-N

• GANT 61
IUPAC Name: 2-[[3-[[2-(dimethylamino)phenyl]methyl]-2-pyridin-4-yl-1,3-diazinan-1-yl]methyl]-N,N-dimethylaniline | CAS Registry Number: 500579-04-4
Synonyms: NSC136476, NSC-136476, GANT61, AC1L9L9T, NCIStruc1_001747, NCIStruc2_001814, SureCN12831665, CHEMBL471728, CTK8E8380, CHEBI:560159, CCG-37862, NCGC00014352, NCI136476, NCGC00014352-02, NCGC00014352-03, NCGC00097461-01, 2,2'-(2-(Pyridin-4-yl)-dihydropyrimidine-1,3(2H,4H)-diyl)bis(methylene)bis(N,N-dimethylbenzenamine), 2-((3-(2-(dimethylamino)benzyl)-2-(4-pyridinyl)tetrahydro-1(2H)-pyrimidinyl)methyl)-N,N-dimethylaniline, 2-[[3-[[2-(dimethylamino)phenyl]methyl]-2-(4-pyridyl)hexahydropyrimidin-1-yl]methyl]-N,N-dimethyl-aniline, 2-[[3-[[2-(dimethylamino)phenyl]methyl]-2-pyridin-4-yl-1,3-diazinan-1-yl]methyl]-N,N-dimethylaniline

Molecular Formula: C27H35N5Molecular Weight: 429.600300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: KVQOGDQTWWCZFX-UHFFFAOYSA-N

• GDC-0349
IUPAC Name: 1-ethyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(oxetan-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea | CAS Registry Number: 1207360-89-1
Synonyms: CHEMBL2331680, SureCN1831520, GDC0349, UNII-579255I6O9, CS-0700, HY-15248, GDC-0349|1207360-89-1|GDC0349

Molecular Formula: C24H32N6O3Molecular Weight: 452.549280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: RGJOJUGRHPQXGF-INIZCTEOSA-N

• GDC-0879
IUPAC Name: 2-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]ethanol | CAS Registry Number: 905281-76-7
Synonyms: GDC0879, CHEMBL525191, GDC 0879, GDC0879, GDC 0879, 905281-76-7, GDC0879, GDC-0879, (E)-5-(1-(2-hydroxyethyl)-3-(pyridin-4-yl)-1H-pyrazol-4-yl)-2,3-dihydroinden-1-one oxime, S1104_Selleck, cc-213, BCPP000222, GDC-0879,GDC0879, AKOS015856553, BCP9000714, CS-0158, RL05696, GDC-0879-Supplied by Selleck Chemicals, HY-50864, KB-77525, QC-11137, BCP0726000314, X7405

Molecular Formula: C19H18N4O2Molecular Weight: 334.371820 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: DEZZLWQELQORIU-RELWKKBWSA-N

• Gedatolisib
IUPAC Name: 1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]urea | CAS Registry Number: 1197160-78-3
Synonyms: PKI-587, PKI587, PKI 587, 1-(4-(4-(Dimethylamino)piperidine-1-carbonyl)phenyl)-3-(4-(4,6-dimorpholino-1,3,5-triazin-2-yl)phenyl)urea, N-[4-[[4-(Dimethylamino)-1-piperidinyl]carbonyl]phenyl]-N'-[4-[4,6-di(4-morpholinyl)-1,3,5-triazin-2-yl]phenyl]urea, S2628_Selleck, PubChem19144, SureCN32393, cc-54, UNII-96265TNH2R, CHEMBL592445, QCR-208, CHEBI:696528, MolPort-009-194-127, AKOS005766013, CS-0449, FE-0013, PK 1587, RL00769, HY-10681

Molecular Formula: C32H41N9O4Molecular Weight: 615.725840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 10

InChIKey: DWZAEMINVBZMHQ-UHFFFAOYSA-N

• Gefitinib
IUPAC Name: N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine | CAS Registry Number: 184475-35-2
Synonyms: Iressa, Irressat, Gefitini; Iressa, Gefitinib [USAN], Iressa (TN), nchembio866-comp14, nchembio.117-comp18, ZD1839, KBioSS_002241, Gefitinib (JAN/USAN/INN), ZD 1839, CCRIS 9011, STOCK6S-52331, CHEBI:49668, ZD-1839, CID123631, NSC715055, DB00317, NCGC00159455-02, NCGC00159455-03

Molecular Formula: C22H24ClFN4O3Molecular Weight: 446.902363 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: XGALLCVXEZPNRQ-UHFFFAOYSA-N

• Geldanamycin
IUPAC Name: [(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-6-hydroxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate | CAS Registry Number: 30562-34-6
Synonyms: geldanamycin, geldanomycin, Geldanamycin (9CI), nchembio.83-comp18, BODIPY-labeled Geldanamycin, BSPBio_001073, NChemBio.2007.10-comp1, CID5288382, IDI1_002122, NCGC00163449-01, NCGC00163449-02, Geldanamycin, Streptomyces hygroscopicus, A00271, C11222, U-29135, 2-Azabicyclo[16.3.1]docosane, geldanamycin deriv., GDM, (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate, [(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-6-hydroxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate, [(3S,5S,6R,7S,8E,10R,11S,12Z,14E)-6-Hydroxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-8,12,14,18,21-pentaen-10-yl] carbamate

Molecular Formula: C29H40N2O9Molecular Weight: 560.635900 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 9

InChIKey: QTQAWLPCGQOSGP-KSRBKZBZSA-N

• Gemcitabine hydrochloride
IUPAC Name: 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one hydrochloride | CAS Registry Number: 122111-03-9
Synonyms: Gemzar, Gemzar (TN), GEMCITABINE HYDROCHLORIDE, Ambap6387, LY188011 hydrochloride, Gemcitabine HCL (Gemzar), C9H11F2N3O4.HCl, Gemcitabine hydrochloride [USAN], Gemcitabine hydrochloride (JAN/USAN), 2',2'-Difluorodeoxycytidine monohydrochloride, CPD000469146, LS-59069, SAM001246550, TL8000589, 2'-Deoxy-2',2'-difluorocytidine monohydrochloride, D01155, Cytidine, 2'-deoxy-2',2'-difluoro-, monohydrochloride, 2'-Deoxy-2',2'-difluorocytidine monohydrochloride (beta-isomer), 103882-84-4, 95058-81-4

Molecular Formula: C9H12ClF2N3O4Molecular Weight: 299.659086 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: OKKDEIYWILRZIA-OSZBKLCCSA-N

• Genistein
IUPAC Name: 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one | CAS Registry Number: 446-72-0
Synonyms: genistein, Genisteol, Genisterin, Prunetol, Sophoricol, Genestein, Differenol A, Isoflavone, Bonistein, 4',5,7-Trihydroxyisoflavone, 5,7,4'-Trihydroxyisoflavone, Lactoferrin-genistein, nchembio.76-comp6, Spectrum_000320, Tocris-1110, 1x7r, SpecPlus_000305, Spectrum2_000638, Spectrum3_000678, Spectrum4_001543

Molecular Formula: C15H10O5Molecular Weight: 270.236900 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: TZBJGXHYKVUXJN-UHFFFAOYSA-N

• Glimepiride
IUPAC Name: 4-ethyl-3-methyl-N-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-5-oxo-2H-pyrrole-1-carboxamide | CAS Registry Number: 93479-97-1
Synonyms: glimepiride, Amaryl, Glimepirid, Amarel, Glimepride, Endial, Glimepirida, Glimepiridum, Glymepirid, Avandaryl, Duetact, Glimer, Roname, Solosa, Mixture Name, Glimepiridum [Latin], Glimepirida [Spanish], Amaryl (TN), Hoe-490, Prestwick0_000651

Molecular Formula: C24H34N4O5SMolecular Weight: 490.615560 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: WIGIZIANZCJQQY-UHFFFAOYSA-N

• GNF-2
IUPAC Name: 3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide | CAS Registry Number: 778270-11-4
Synonyms: Bcr-abl Inhibitor, GNF2, (3-(6)-(4-Trifluoromethoxy-phenylamino)-pyrimidin-4-yl)-benzamide, 3-[6-[[4-(Trifluoromethoxy)phenyl]amino]-4-pyrimidinyl]benzamide, SMR000463555, 3-(6-{[4-(Trifluoromethoxy)phenyl]amino}pyrimidin-4-Yl)benzamide, 3-[6-[[4-(trifluoromethoxy)phenyl]amino]pyrimidin-4-yl]benzamide, 3k5v, AC1NSKR6, SureCN925002, AC1Q4ZE7, UNII-6D7Q9Z2W7T, cc-647, MLS000911539, MLS003105943, G9420_SIGMA, CHEMBL483847, QCR-247, CHEBI:585249, HMS2043N17

Molecular Formula: C18H13F3N4O2Molecular Weight: 374.316630 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: WEVYNIUIFUYDGI-UHFFFAOYSA-N

• Go 6983
IUPAC Name: 3-[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione | CAS Registry Number: 133053-19-7
Synonyms: go 6983, Gö 6983, 2-(1-(3-dimethylaminopropyl)-5-methoxyindol-3-yl)-3-(1h-indol-3-yl)maleimide, 2-[1-(3-Dimethylaminopropyl)-5-methoxyindol-3-yl]-3-(1H-indol-3-yl) maleimide, 3-[1-[3-(Dimethylamino)propyl]-5-methoxy-1H-indol-3-yl]-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione, AC1L1G2N, AC1Q6P6S, SureCN1680253, G1918_SIGMA, Goe 6983, CHEMBL261491, CTK4B8320, MolPort-003-941-462, HMS3229E15, Go-6893, AR-1C5949, IN1307, AG-K-40753, CCG-206756, NCGC00163505-01

Molecular Formula: C26H26N4O3Molecular Weight: 442.509640 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: LLJJDLHGZUOMQP-UHFFFAOYSA-N

• Golvatinib
IUPAC Name: 1-N'-[2-fluoro-4-[2-[[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]amino]pyridin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | CAS Registry Number: 928037-13-2
Synonyms: E7050, E-7050, Golvatinib (USAN), Golvatinib [USAN], SureCN1727298, cc-653, UNII-516Z3YP58E, CHEMBL3039525, QCR-198, CS-0595, RL05842, HY-13068, KB-76745, D10224, E-7050|928037-13-2|E7050, 1,1-Cyclopropanedicarboxamide, N-(2-fluoro-4-((2-(((4-(4-methyl-1-piperazinyl)-1- piperidinyl)carbonyl)amino)-4-pyridinyl)oxy)phenyl)-N'-(4-fluorophenyl)-, N-(2-Fluoro-4-((2-(((4-(4-methylpiperazin-1-yl)piperidin-1-yl)carbonyl)amino)pyridin-4- yl)oxy)phenyl)-N'-(4- fluorophenyl)cyclopropane-1,1-dicarboxamide, N-(2-fluoro-4-(2-(4-(4-methylpiperazin-1-yl)piperidine-1-carboxamido)pyridin-4-yloxy)phenyl)-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide, N-[2-Fluoro-4-[[2-[[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl]amino]pyridin-4-yl]oxy]phenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

Molecular Formula: C33H37F2N7O4Molecular Weight: 633.688186 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 9

InChIKey: UQRCJCNVNUFYDX-UHFFFAOYSA-N

• Griseofulvin
IUPAC Name: (2S,5'R)-7-chloro-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione | CAS Registry Number: 126-07-8
Synonyms: griseofulvin, Fulvicin, Amudane, Delmofulvina, Griscofulvin, Griseofulvinum, Grizeofulvin, Fulvistatin, Grisefuline, Grisofulvin, Spirofulvin, Fulvinil, Fungivin, Gresfeed, Grifulin, Grifulvin, Grisactin, Griseomix, Grisetin, Grisovin

Molecular Formula: C17H17ClO6Molecular Weight: 352.766280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: DDUHZTYCFQRHIY-RBHXEPJQSA-N

• GSK 3 Inhibitor IX
IUPAC Name: 6-bromo-3-[3-(hydroxyamino)indol-2-ylidene]-1H-indol-2-one | CAS Registry Number: 667463-62-9
Synonyms: AGN-PC-008GI1, CTK8E9656, HMS3265E19, HMS3265E20, HMS3265F19, HMS3265F20, BIO, IN1314, NCGC00094112-06, KB-68783, (3E)-6-bromo-3-[3-(hydroxyamino)indol-2-ylidene]-1H-indol-2-one, 2H-Indol-2-one,6-bromo-3-[(3E)-1,3-dihydro-3-(hydroxyimino)-2H-indol-2-ylidene]-1,3-dihydro-,(3Z)-, 6-BROMO-3-[(3E)-3-(HYDROXYIMINO)-2,3-DIHYDRO-1H-INDOL-2-YLIDENE]-2,3-DIHYDRO-1H-INDOL-2-ONE

Molecular Formula: C16H10BrN3O2Molecular Weight: 356.173500 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: WNWSUJQVZJJGLF-UHFFFAOYSA-N

• GSK-1070916
IUPAC Name: 3-[4-[4-[2-[3-[(dimethylamino)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1-ethylpyrazol-3-yl]phenyl]-1,1-dimethylurea | CAS Registry Number: 942918-07-2
Synonyms: GSK1070916, GSK 1070916, CHEMBL1090479, CHEBI:722556, AKOS005145558, GSK 1070916, 942918-07-2, 3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-ethyl-1H-pyrazol-3-yl)phenyl)-1,1-dimethylurea, N'-[4-[4-[2-[3-[(Dimethylamino)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1-ethyl-1H-pyrazol-3-yl]phenyl]-N,N-dimethylurea, UNII-8VLB51V7HO, SureCN4305006, cc-423, HMS3265K13, HMS3265K14, HMS3265L13, HMS3265L14, ACT06827, DCL001072, DNC010677, GSK-1070916A, BCP9000733

Molecular Formula: C30H33N7OMolecular Weight: 507.629320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: QTBWCSQGBMPECM-UHFFFAOYSA-N

• GSK-690693
IUPAC Name: 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[[(3S)-piperidin-3-yl]methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol | CAS Registry Number: 937174-76-0
Synonyms: GSK690693, GSK 690693, (S)-4-(2-(4-Amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(piperidin-3-ylmethoxy)-1H-imidazo[4,5-c]pyridin-4-yl)-2-methylbut-3-yn-2-ol, GSK 690693, GSK-690693, 937174-76-0, cc-44, SureCN310452, UNII-GWH480321B, CHEMBL494089, CTK5H2854, ABP000406, ANW-64913, DNC008950, AKOS015904356, AG-L-59959, BCP9000745, QC-7252, NCGC00263181-01, AK103308, HY-10249, KB-77630

Molecular Formula: C21H27N7O3Molecular Weight: 425.484180 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 9

InChIKey: KGPGFQWBCSZGEL-ZDUSSCGKSA-N

• GSK-J4
IUPAC Name: ethyl 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoate | CAS Registry Number: 1373423-53-0
Synonyms: KB-145933, BRD-K98203492-001-01-1

Molecular Formula: C24H27N5O2Molecular Weight: 417.503480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: WBKCKEHGXNWYMO-UHFFFAOYSA-N

• GSK1059615
IUPAC Name: (5Z)-5-[(4-pyridin-4-ylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione | CAS Registry Number: 958852-01-2
Synonyms: GSK-1059615, GSK-1059615, GSK1059615, GSK 1059615, S1360_Selleck, cc-609, UNII-07YMO87363, CHEBI:71955, BCP9000732, CS-0187, HY-12036, GSK1059615-Supplied by Selleck Chemicals, FT-0669060, X7431, GSK1059615|958852-01-2|GSK-1059615, (Z)-5-((4-(pyridin-4-yl)quinolin-6-yl)methylene)thiazolidine-2,4-dione, 5-{[4-(pyridin-4-yl)quinolin-6-yl]methylene}-1,3-thiazolidine-2,4-dione, (5Z)-5-{[4-(pyridin-4-yl)quinolin-6-yl]methylidene}-1,3-thiazolidine-2,4-dione

Molecular Formula: C18H11N3O2SMolecular Weight: 333.363840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: QDITZBLZQQZVEE-YBEGLDIGSA-N

• GSK1838705A
IUPAC Name: 2-[[2-[[1-[2-(dimethylamino)acetyl]-5-methoxy-2,3-dihydroindol-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-6-fluoro-N-methylbenzamide | CAS Registry Number: 1116235-97-2
Synonyms: GSK-1838705A, SureCN2205605, SureCN12428872, cc-268, CHEMBL464552, BCP9000736, CS-0695, pyrrolo[2,3-d]pyrimidine deriv., 40, RL00469, NCGC00346647-01, HY-13020, X7516, GSK1838705A|1116235-97-2|GSK-1838705A, 2-((2-((1-((dimethylamino)ethanoyl)-5-(methyloxy)-2,3-dihydro-1h-indol-6-yl)amino)-7h-pyrrolo(2,3-d)pyrimidin-4-yl)amino)-6-fluoro-n-methylbenzamide, 2-(2-(1-(2-(dimethylamino)acetyl)-5-methoxyindolin-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-6-fluoro-N-methylbenzamide, 2-{[2-({1-[2-(dimethylamino)acetyl]-5-methoxy-2,3-dihydroindol-6-yl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-6-fluoro-N-methylbenzamide

Molecular Formula: C27H29FN8O3Molecular Weight: 532.569363 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 9

InChIKey: HZTYDQRUAWIZRE-UHFFFAOYSA-N

• GSK1904529A
IUPAC Name: N-(2,6-difluorophenyl)-5-[3-[2-[5-ethyl-2-methoxy-4-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-methoxybenzamide | CAS Registry Number: 1089283-49-7
Synonyms: GSK 1904529A, N-(2,6-Difluorophenyl)-5-[3-[2-[[5-ethyl-2-(methyloxy)-4-[4-[4-(methylsulfonyl)-1-piperazinyl]-1-piperidinyl]phenyl]amino]-4-pyrimidinyl]imidazo[1,2-a]pyridin-2-yl]-2-(methyloxy)benzamide, S1093_Selleck, PubChem22431, cc-35, SureCN309890, CHEMBL466397, CHEBI:575598, ABP000158, GSK-1904529A, EX-8674, QC-7246, RL00381, NCGC00253439-01, HY-10524, KB-77619, GSK1904529A-Supplied by Selleck Chemicals, Y0282, GSK 1904529A (GSK 4529), A24618

Molecular Formula: C44H47F2N9O5SMolecular Weight: 851.963086 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 14

InChIKey: MOSKATHMXWSZTQ-UHFFFAOYSA-N

• GSK2334470
IUPAC Name: (3S,6R)-1-[6-(3-amino-1H-indazol-6-yl)-2-(methylamino)pyrimidin-4-yl]-N-cyclohexyl-6-methylpiperidine-3-carboxamide | CAS Registry Number: 1227911-45-6
Synonyms: SureCN1317022, CHEMBL1765740, CHEBI:1240766, CS-0917, QC-8425, GSK-2334470, HY-14981, KB-77621, GSK2334470|1227911-45-6|GSK-2334470, (3S,6R)-1-(6-(3-amino-1H-indazol-6-yl)-2-(methylamino)pyrimidin-4-yl)-N-cyclohexyl-6-methylpiperidine-3-carboxamide

Molecular Formula: C25H34N8OMolecular Weight: 462.590460 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: QLPHOXTXAKOFMU-WBVHZDCISA-N

• GSK2636771
IUPAC Name: 2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylbenzimidazole-4-carboxylic acid | CAS Registry Number: 1372540-25-4
Synonyms: GSK-2636771, UNII-DW94IAT0LS, SureCN1280998, cc-414, QCR-187, BCP9000741, CS-0747, NCGC00345796-01, HY-15245, GSK2636771|1372540-25-4|GSK-2636771, S8002, GSK 2636771, GSK-2636771, 1372540-25-4, 2-Methyl-1-((2-methyl-3-(trifluoromethyl)phenyl)methyl)-6-(4-morpholinyl)-1H-benzimidazole-4-carboxylic acid, 2-Methyl-1-((2-methyl-3-(trifluoromethyl)phenyl)methyl)-6-morpholino-benzimidazole-4-carboxylic acid, 2-methyl-1-(2-methyl-3-(trifluoromethyl)benzyl)-6-morpholino-1H-benzo[d]imidazole-4-carboxylic acid

Molecular Formula: C22H22F3N3O3Molecular Weight: 433.423590 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: XTKLTGBKIDQGQL-UHFFFAOYSA-N

• GSK343
IUPAC Name: N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-1-propan-2-ylindazole-4-carboxamide | CAS Registry Number: 1346704-33-3
Synonyms: CHEMBL2204995, SureCN14716863, KB-145929

Molecular Formula: C31H39N7O2Molecular Weight: 541.687060 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: ULNXAWLQFZMIHX-UHFFFAOYSA-N

• GSK429286A
IUPAC Name: N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxamide | CAS Registry Number: 864082-47-3
Synonyms: S1474_Selleck, AGN-PC-007TDK, SureCN2801740, cc-634, CHEMBL375312, dihydropyridone indazole amide 15, MolPort-021-804-959, BCPP000217, HMS3244C07, HMS3244C08, HMS3244D07, HMS3265C03, HMS3265C04, HMS3265D03, HMS3265D04, GSK 429286A, GSK-429286A, RS0087, BCP9000743, CS-0095

Molecular Formula: C21H16F4N4O2Molecular Weight: 432.370953 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: OLIIUAHHAZEXEX-UHFFFAOYSA-N

• GSK461364
IUPAC Name: 5-[6-[(4-methylpiperazin-1-yl)methyl]benzimidazol-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide | CAS Registry Number: 929095-18-1
Synonyms: GSK-461364A, 5-[6-[(4-Methyl-1-piperazinyl)methyl]-1h-benzimidazol-1-yl]-3-[(1r)-1-[2-(trifluoromethyl)phenyl]ethoxy]-2-thiophenecarboxamide, GSK 461364, GSK-461364, CHEMBL1908394, (R)-5-(6-((4-methylpiperazin-1-yl)methyl)-1H-benzo[d]imidazol-1-yl)-3-(1-(2-(trifluoromethyl)phenyl)ethoxy)thiophene-2-carboxamide, GSK461364, GSK 461364, 2-Thiophenecarboxamide, 5-(6-((4-methyl-1-piperazinyl)methyl)-1H-benzimidazol-1-yl)-3-((1R)-1-(2-(trifluoromethyl)phenyl)ethoxy)-, 2-THIOPHENECARBOXAMIDE, 5-[6-[(4-METHYL-1-PIPERAZINYL)METHYL]-1H-BENZIMIDAZOL-1-YL]-3-[(1R)-1-[2-(TRIFLUOROMETHYL)PHENYL]ETHOXY]-, 5-(6-((4-Methylpiperazin-1-yl)methyl)-1H-benzimidazol-1-yl)-3-(((1R)-1-(2-(trifluoromethyl)phenyl)ethyl)oxy)thiophene-2-carboxamide, 5-[6-[(4-METHYLPIPERAZIN-1-YL)METHYL]-1H-BENZIMIDAZOL-1-YL]-3-[[(1R)-1-[2-(TRIFLUOROMETHYL)PHENYL]ETHYL]OXY]THIOPHENE-2-CARBOXAMIDE, S2193_Selleck, SureCN310080, UNII-8QO27TK6Q4, cc-630, CTK8B7590, MolPort-016-633-304, GSK461364A, ABP000820, ANW-57776

Molecular Formula: C27H28F3N5O2SMolecular Weight: 543.603730 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 9

InChIKey: ZHJGWYRLJUCMRT-QGZVFWFLSA-N

• GW 441756
IUPAC Name: 3-[(1-methylindol-3-yl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one | CAS Registry Number: 504433-23-2
Synonyms: GW441756X, Kinome_3134, SureCN5787774, CHEMBL1516890, CTK8F0368, 1,3-Dihydro-3-[(1-methyl-1H-indol-3-yl)methylene]-2H-pyrrolo[3,2-b]pyridin-2-one, HMS3244C15, HMS3244C16, HMS3244D15, HMS3268D18, NCGC00161398-01, NCGC00165797-01, NCGC00242139-01, GW-441756

Molecular Formula: C17H13N3OMolecular Weight: 275.304620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NXNQLECPAXXYTR-UHFFFAOYSA-N

• GW 5074
IUPAC Name: (3Z)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one | CAS Registry Number: 220904-83-6
Synonyms: gw5074, Raf1 Kinase Inhibitor I, InSolution™ Raf1 Kinase Inhibitor I, 5-Iodo-3-[(3,5-dibromo-4-hydroxyphenyl)methylene]-2-indolinone, STO521, 3-(3,5-Dibromo-4-hydroxybenzyliden)-5-iodo-1,3-dihydroindol-2-one, Tocris-1381, BiomolKI_000056, Lopac-G-6416, BiomolKI2_000062, SureCN149921, AC1O00KW, Lopac0_000510, BMK1-F8, BSPBio_001275, cc-462, CHEMBL72365, G6416_SIGMA, BCBcMAP01_000125, CHEBI:216377

Molecular Formula: C15H8Br2INO2Molecular Weight: 520.941990 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: LMXYVLFTZRPNRV-KMKOMSMNSA-N

• GW2580
IUPAC Name: 5-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine | CAS Registry Number: 870483-87-7
Synonyms: CSF-1 Receptor Inhibitor, cFMS Receptor Tyrosine Kinase Inhibitor, GW632580X, GW-2580, 5-(3-Methoxy-4-((4-methoxybenzyl)oxy)benzyl)-pyrimidine-2,4-diamine, 2,4-Pyrimidinediamine, 5-((3-methoxy-4-((4-methoxyphenyl)methoxy)phenyl)methyl)-, 2,4-Pyrimidinediamine, 5-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-, Kinome_3757, 4at5, UNII-SRV0JCF9LI, AGN-PC-00CRC7, SureCN4326587, cc-705, CHEMBL261849, CTK8E8759, HMS3229E11, HMS3303G12, HMS3305H21, IN1333, AM81255

Molecular Formula: C20H22N4O3Molecular Weight: 366.413680 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: MYQAUKPBNJWPIE-UHFFFAOYSA-N

• GW788388
IUPAC Name: N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridin-2-yl]benzamide | CAS Registry Number: 452342-67-5
Synonyms: GW-788388, 4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)-N-(tetrahydro-2H-pyran-4-yl)benzamide, GW 788388, cc-69, SureCN373524, CHEMBL202887, CTK8C0589, CHEBI:442971, UNII-N14114957J, ANW-64933, DNC006358, AKOS016005022, BCP9000754, CS-0254, NCGC00346679-01, AK103288, HY-10326, QC-10483, BCP0726000062, X7615

Molecular Formula: C25H23N5O2Molecular Weight: 425.482420 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: SAGZIBJAQGBRQA-UHFFFAOYSA-N

• HA14-1
IUPAC Name: ethyl (4R)-2-amino-6-bromo-4-[(1R)-1-cyano-2-ethoxy-2-oxoethyl]-4H-chromene-3-carboxylate | CAS Registry Number: 65673-63-4
Synonyms: Maybridge1_000786, ZINC01036313, CID6976314

Molecular Formula: C17H17BrN2O5Molecular Weight: 409.231280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: SXJDCULZDFWMJC-AAEUAGOBSA-N

• Hesperadin
IUPAC Name: N-[(3Z)-2-oxo-3-[phenyl-[4-(piperidin-1-ylmethyl)anilino]methylidene]-1H-indol-5-yl]ethanesulfonamide | CAS Registry Number: 422513-13-1
Synonyms: hesperadin, hesperadine, CHEBI:70726, TCMDC-135395, S1529_Selleck, SureCN1116351, UNII-PTR491OS14, cc-473, CHEMBL514409, Hesperadin|422513-13-1, QCR-213, CHEBI:463105, CHEBI:612926, DNC006942, CS-0213, RL03628, Hesperadin-Supplied by Selleck Chemicals, HY-12054, KB-77717, X7388

Molecular Formula: C29H32N4O3SMolecular Weight: 516.654380 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: GLDSKRNGVVYJAB-DQSJHHFOSA-N

• HMN-214
IUPAC Name: N-(4-methoxyphenyl)sulfonyl-N-[2-[(E)-2-(1-oxidopyridin-1-ium-4-yl)ethenyl]phenyl]acetamide | CAS Registry Number: 173529-46-9
Synonyms: HMN 214, IVX-214, (E)-4-(2-(2-(N-Acetyl-N-((p-methoxyphenyl)sulfonyl)amino)phenyl)ethenyl)pyridine 1-oxide, Acetamide, N-((4-methoxyphenyl)sulfonyl)-N-(2-((1E)-2-(1-oxido-4-pyridinyl)ethenyl)phenyl)-, Acetamide, N-((4-methoxyphenyl)sulfonyl)-N-(2-(2-(1-oxido-4-pyridinyl)ethenyl)phenyl)-, (E)-, CID9888590, cc-31, SureCN5173713, HMN214, BCPP000212, DCL000128, BCP9000762, N-(4-methoxyphenyl)sulfonyl-N-[2-[(E)-2-(1-oxidopyridin-4-yl)ethenyl]phenyl]acetamide, X7375, A811525, (E)-4-(2-(2-(N-Acetyl-N-(4-methoxybenzenesulfonyl)amino)stilbazole)) 1-oxide, Acetamide, N-[(4-methoxyphenyl)sulfonyl]-N-[2-[(1E)-2-(1-oxido-4-pyridinyl)ethenyl]phenyl], N-(4-methoxybenzenesulfonyl)-N-{2-[(E)-2-(1-oxo-1$l^{5}-pyridin-4-yl)ethenyl]phenyl}acetamide, N-(4-methoxyphenyl)sulfonyl-N-[2-[(E)-2-(1-oxidanidylpyridin-1-ium-4-yl)ethenyl]phenyl]ethanamide, N-(4-methoxyphenyl)sulfonyl-N-[2-[(E)-2-(1-oxido-4-pyridin-1-iumyl)ethenyl]phenyl]acetamide

Molecular Formula: C22H20N2O5SMolecular Weight: 424.469600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: OCKHRKSTDPOHEN-BQYQJAHWSA-N

• Homovanillic acid
IUPAC Name: 2-(4-hydroxy-3-methoxyphenyl)acetic acid | CAS Registry Number: 306-08-1
Synonyms: Homovanillate, Vanillacetic acid, HMPA, Lopac-H-1252, 4-Hydroxy-3-methoxyphenylacetic acid, Lopac0_000632, Oprea1_505423, MLS001056771, H1252_SIGMA, 3-Methoxy-4-hydroxyphenylacetate, Benzeneacetic acid, 4-hydroxy-3-methoxy-, 3-Methoxy-4-hydroxyphenylacetic acid, 4-Hydroxy-3-methoxybenzeneacetic acid, NSC16682, EINECS 206-176-7, Acetic acid, (4-hydroxy-3-methoxyphenyl)-, NSC 16682, NCGC00015497-01, NCGC00093999-01, NCGC00093999-02

Molecular Formula: C9H10O4Molecular Weight: 182.173300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: QRMZSPFSDQBLIX-UHFFFAOYSA-N

• Honokiol
IUPAC Name: 2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol | CAS Registry Number: 35354-74-6
Synonyms: nchembio.140-comp3, MLS000759481, MLS001048916, MLS001423980, H4914_SIGMA, 3,5'-Diallyl-4,2'-dihydroxybiphenyl, AIDS002243, BB_NC-1461, 3',5-Diallylbiphenyl-2,4'-diol, NSC 293100, AIDS-002243, C18H18O2, CID72303, NSC293100, ZINC00001536, 5,3'-Diallyl-2,4'-dihydroxybiphenyl, SMP2_000040, NCGC00163567-01, NCGC00163567-02, CPD000387107

Molecular Formula: C18H18O2Molecular Weight: 266.334320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: FVYXIJYOAGAUQK-UHFFFAOYSA-N

• I-BET151
IUPAC Name: 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-pyridin-2-ylethyl]-3H-imidazo[4,5-c]quinolin-2-one | CAS Registry Number: 1300031-49-5
Synonyms: CHEMBL2017291, GSK1210151A, 7-(3,5-Dimethyl-4-isoxazolyl)-1,3-dihydro-8-methoxy-1-[(1R)-1-(2-pyridinyl)ethyl]-2H-imidazo[4,5-c]quinolin-2-one, 3zyu, 4alg, 1GH, 7-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-8-Methoxy-1-[(1r)-1-(Pyridin-2-Yl)ethyl]-1h,2h,3h-Imidazo[4,5-C]quinolin-2-One, SureCN1906755, cc-415, I-BET 151, QCR-236, GSK 1210151A, GSK-1210151A, AKOS016004407, BCP9000734, CS-0930, RL01425, GSK1210151A/I-BET 151, NCGC00344588-01, AK-98133

Molecular Formula: C23H21N5O3Molecular Weight: 415.444540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: VUVUVNZRUGEAHB-CYBMUJFWSA-N

• Ibrutinib
IUPAC Name: 1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one | CAS Registry Number: 936563-96-1
Synonyms: PCI 32765, PCI-32765, CHEBI:76612, PCI32765, UNII-1X70OSD4VX, ibrutinibum, CRA-032765, Imbruvica (TN), Ibrutinib (USAN), IMBRUVICA, SureCN201859, 1X70OSD4VX, PCI-32765 (Ibrutinib), CHEMBL1873475, AMX10219, EX-5960, QC-4573, NCGC00187912-01, NCGC00187912-02, NCGC00187912-03

Molecular Formula: C25H24N6O2Molecular Weight: 440.497060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: XYFPWWZEPKGCCK-GOSISDBHSA-N

• IC-87114
IUPAC Name: 2-[(6-aminopurin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one | CAS Registry Number: 371242-69-2
Synonyms: IC 87114, IC87114, 2-((6-amino-9H-purin-9-yl)methyl)-5-methyl-3-o-tolylquinazolin-4(3H)-one, IC87114, 371242-69-2, IC87114, IC-87114, BiomolKI2_000002, S1268_Selleck, PubChem22453, SureCN360745, UNII-9HC746B1KF, cc-493, CHEMBL1213082, 2x38, CHEBI:784922, BCPP000208, HMS3244E05, HMS3244E06, HMS3244F05, ABP000092, IC87114,PIK-293

Molecular Formula: C22H19N7OMolecular Weight: 397.432560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: GNWHRHGTIBRNSM-UHFFFAOYSA-N


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