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All Chemistry Inc.

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Profile: ALL Chemistry Inc. is your reliable partner for contract research and advanced synthesis and analysis. We specialize in providing professional chemical products and custom solutions for pharmaceutical and biotechnological industries and research institutions on a global scale. Our extensive catalog of research chemicals covers chiral compounds, natural compounds, labeled products, small molecule inhibitors, flavor and fragrance products, and we offer custom synthesis, custom compound screening and library services upon customer requirements.

451 to 499 of 499 Products/Chemicals (Click for related suppliers)  Page: << Previous 50 Results 1 2 3 4 5 6 7 8 9 [10]
• (-)-Epigallocatechin
IUPAC Name: (2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol | CAS Registry Number: 970-74-1
Synonyms: Epigallocatechin, Epigallocatechol, L-Epigallocatechin, Gallocatechin, Gallocatechol, epi-Gallocatechin, l-Epigallocatechol, Antiscurvy factor C2, (-)-Epigallocatechol, Factor C2 (antiscurvy), nchembio.246-comp3, Spectrum_000806, SpecPlus_000269, Spectrum2_000703, Spectrum3_000248, Spectrum4_000950, Spectrum5_000889, 2,3-cis-epigallocatechin, Antiscurvy factor C(sub 2), CCRIS 5441

Molecular Formula: C15H14O7Molecular Weight: 306.267460 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 7

InChIKey: XMOCLSLCDHWDHP-IUODEOHRSA-N

• 4-Hydroxybenzyl Alcohol
IUPAC Name: 4-(hydroxymethyl)phenol | CAS Registry Number: 623-05-2
Synonyms: p-Methylolphenol, 4-Methylolphenol, 4-hydroxybenzyl alcohol, p-Hydroxybenzyl alcohol, 4-(Hydroxymethyl)phenol, p-(Hydroxymethyl)phenol, Benzenemethanol, 4-hydroxy-, alpha-Hydroxy-p-cresol, Benzyl alcohol, p-hydroxy-, 4-Hydroxybenzenemethanol, .alpha.-Hydroxy-p-cresol, CCRIS 5114, H20806_ALDRICH, W398705_ALDRICH, 4-HYDROXY-BENZYL-ALCOHOL, 54860_FLUKA, EINECS 210-768-0, NSC 227926, Benzyl alcohol, p-hydroxy- (8CI), Benzenemethanol, 4-hydroxy- (9CI)

Molecular Formula: C7H8O2Molecular Weight: 124.137220 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: BVJSUAQZOZWCKN-UHFFFAOYSA-N

• 1-Boc-3,5-bis(2-fluorobenzylidene)-4-oxopiperidine
IUPAC Name: tert-butyl (3Z,5Z)-3,5-bis[(2-fluorophenyl)methylidene]-4-oxopiperidine-1-carboxylate | CAS Registry Number: 939681-36-4
Synonyms: AKOS022179344, AK-51431, AJ-137109, tert-Butyl 3,5-bis(2-fluorobenzylidene)-4-oxopiperidine-1-carboxylate

Molecular Formula: C24H23F2NO3Molecular Weight: 411.441126 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: MCSPIRBNMDODQP-BKHHGCLFSA-N

• 4-(N-Nitrosomethylamino)-1-(3-Pyridyl)-1-Butanone
IUPAC Name: N-methyl-N-(4-oxo-4-pyridin-3-ylbutyl)nitrous amide | CAS Registry Number: 64091-91-4
Synonyms: NNK (carcinogen), Ozone/NNK, NNK cpd, CCRIS 1150, CHEBI:32692, CID47289, BRN 3548355, ZINC05239470, LS-1545, 4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANONE, 4-(N-Nitroso-N-methylamino)-1-(3-pyridyl)-1-butanone, NCGC00163358-01, 4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone, 4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone, 4-[methyl(nitroso)amino]-1-pyridin-3-ylbutan-1-one, 1-Butanone, 4-(methylnitrosoamino)-1-(3-pyridinyl)-, 4-Methylnitrosoamino-1-(3-pyridinyl)-1-butanone, 4-(Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone, 4-(Methylnitrosamino)-1-(3-pyridyl)-1-(butanone), C16453

Molecular Formula: C10H13N3O2Molecular Weight: 207.229120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: FLAQQSHRLBFIEZ-UHFFFAOYSA-N

• 2-Aminoethylsulphonic Acid
IUPAC Name: 2-aminoethanesulfonic acid | CAS Registry Number: 107-35-7
Synonyms: taurine, tauphon, 2-aminoethanesulfonic acid, L-Taurine, taufon, 2-Sulfoethylamine, O-Due, Taukard, Taurinum [Latin], Aminoethanesulfonic acid, Taurina [Spanish], Taurine [INN], 2-Aminoethylsulfonic acid, aminoethylsulfonic acid, Taurine (TN), beta-Aminoethylsulfonic acid, Taurine (8CI), aminoetylsulphonic acid, 2-aminoethyl sulfonate, ethylaminesulphonic acid

Molecular Formula: C2H7NO3SMolecular Weight: 125.146880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: XOAAWQZATWQOTB-UHFFFAOYSA-N

• 3-(4-Bromophenyl)-Piperidine
IUPAC Name: 3-(4-bromophenyl)piperidine | CAS Registry Number: 769944-72-1
Synonyms: 3-(4-BROMOPHENYL)PIPERIDINE, Piperidine, 3-(4-bromophenyl)-, 3-(4-Bromo-phenyl)-piperidine, PubChem17291, SureCN998429, Piperidine,3-(4-bromophenyl)-, MolPort-008-765-842, ANW-75038, AKOS015835682, AB64015, AK-42002, KB-59725, A9759, FT-0083324, FT-0651373, Y6392, I14-13147

Molecular Formula: C11H14BrNMolecular Weight: 240.139560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: SZTZMTODFHPUHI-UHFFFAOYSA-N

• (Z)-2-[4-(1,2-DIPHENYL-1-BUTENYL)PHENOXY]-N-METHYLETHANAMINE HCL
IUPAC Name: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N-methylethanamine hydrochloride | CAS Registry Number: 15917-65-4
Synonyms: MolPort-005-943-948, NSC372964, LS-65038

Molecular Formula: C25H28ClNOMolecular Weight: 393.948920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: GMLHJWZEYLTNJW-BJFQDICYSA-N

• 2-METHYL-3-THIOSEMICARBAZIDE 97%
IUPAC Name: 1-amino-1-methylthiourea | CAS Registry Number: 6938-68-7
Synonyms: 2-Methyl-3-thiosemicarbazide, 1-Methylhydrazinecarbothioamide, 264989_ALDRICH, NSC53998, MolPort-003-928-838, Semicarbazide, 2-methyl-3-thio-, Hydrazinecarbothioamide, 1-methyl-, EINECS 230-071-5, ZINC05688656, CID3034190, I09-1296

Molecular Formula: C2H7N3SMolecular Weight: 105.162080 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: IIGQLQZSWDUOBI-UHFFFAOYSA-N

• 1-(5-(4-Amino-7-ethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)indolin-1-yl)-2-(3-(trifluoromethoxy)phenyl)ethan-1-one
IUPAC Name: 1-[5-(4-amino-7-ethylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethoxy)phenyl]ethanone | CAS Registry Number: 2300982-44-7
Synonyms: RIPK1-IN-7, CHEMBL4281823, RIPK1 inhibitor 22b, SCHEMBL22374924, GTPL10155, BDBM50466038, compound 22b [PMID: 30480444], HY-119933, CS-0078801, 1-(5-{4-Amino-7-ethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2,3-dihydro-1H-indol-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethan-1-one

Molecular Formula: C25H22F3N5O2Molecular Weight: 481.500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: APPXQUDJLJXULP-UHFFFAOYSA-N

• 2'-Hydroxy-3-Phenylpropiophenone
IUPAC Name: 1-(2-hydroxyphenyl)-3-phenylpropan-1-one | CAS Registry Number: 3516-95-8
Synonyms: 2'-Hydroxy-3-phenylpropiophenone, 102288_ALDRICH, o-Hydroxy-.beta.-phenyl propiophenone, o-Hydroxy-beta-phenyl propiophenone, EINECS 222-521-4, 1-(2-Hydroxyphenyl)-3-phenylpropan-1-one, TL8002620, 42772-82-7

Molecular Formula: C15H14O2Molecular Weight: 226.270460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: JCPGMXJLFWGRMZ-UHFFFAOYSA-N

• 4h-Thiopyrano[4,3-D]pyrimidin-4-One, 1,5,7,8-Tetrahydro-2-Methyl-
IUPAC Name: 2-methyl-1,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-4-one | CAS Registry Number: 284028-90-6
Synonyms: 7,8-Dihydro-2-methyl-1H-thiopyrano[4,3-d]pyrimidin-4(5H)-one, PARP Inhibitor XI, DR2313, 2-Methyl-3,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidine-4-one, 2-Methyl-3,5,7,8-Tetrahydro-4h-Thiopyrano[4,3-D]pyrimidin-4-One, 3c4h, SureCN421328, CHEMBL483348, CHEBI:49585, CTK8B8975, CHEBI:620178, MolPort-009-198-881, HMS3269K13, ACT08709, ANW-61702, ZINC13831221, AKOS006291031, DB07677, DR 2313, RP24345, NCGC00167745-01

Molecular Formula: C8H10N2OSMolecular Weight: 182.242800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HRYKZAKEAVZGJD-UHFFFAOYSA-N

• 1-Hydroxyadamantane
IUPAC Name: adamantan-1-ol | CAS Registry Number: 768-95-6
Synonyms: 1-Adamantanol, 1-Adamantol, Adamantan-1-ol, Ambap2129, 130346_ALDRICH, 54191_FLUKA, EINECS 212-202-8, NSC 91633, NSC 108837, Tricyclo(3.3.1.13,7)decan-1-ol, NSC91633, NSC108837, ZINC01297856, Tricyclo[3.3.1.1(3,7)]decan-1-ol, AI3-61285, SDCCGMLS-0066229.P001, Tricyclo[3.3.1.13,7]decan-1-ol, LS-15042, tricyclo[3.3.1.1~3,7~]decan-1-ol, ST5182315

Molecular Formula: C10H16OMolecular Weight: 152.233440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: VLLNJDMHDJRNFK-UHFFFAOYSA-N

• 4-((Tetrahydro-2H-pyran-2-yl)oxy)phenol
IUPAC Name: 4-(oxan-2-yloxy)phenol | CAS Registry Number: 53936-56-4
Synonyms: Deoxyarbutin, 4-(Tetrahydro-2H-pyran-2-yloxy)phenol, Phenol, 4-((tetrahydro-2H-pyran-2-yl)oxy)-, Phenol, 4-[(tetrahydro-2H-pyran-2-yl)oxy]-, Girlite DA 100, Tetrahydropyranyloxy phenol, AGN-PC-00ASLE, SureCN222919, UNII-RG969BY5EN, (+/-)-Tetrahydropyranyloxy phenol, Tetrahydropyranyloxy phenol [INCI], 4-((2-Tetrahydropyranyl)oxy)phenol, ANW-48655, Tetrahydropyranyloxy phenol, (+/-)-, 4-(tetrahydro-2H-2-pyranyloxy)phenol, AKOS015919608, 4-Hydroxyphenyl tetrahydropyranyl ether, AK-77741, BR-77741, KB-71706

Molecular Formula: C11H14O3Molecular Weight: 194.227060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GFBCWCDNXDKFRH-UHFFFAOYSA-N

• 1,5-Isoquinolinediamine, N1-(4-chlorophenyl)-6-methyl-N5-[3-(9H-purin-6-yl)-2-pyridinyl]-
IUPAC Name: 1-N-(4-chlorophenyl)-6-methyl-5-N-[3-(7H-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine | CAS Registry Number: 1093100-40-3
Synonyms: 3idp, L1E, N~1~-(4-Chlorophenyl)-6-Methyl-N~5~-[3-(7h-Purin-6-Yl)pyridin-2-Yl]isoquinoline-1,5-Diamine, CHEMBL1197798, pyridylpurine aminoisoquinoline, 1, KB-57267, N1-(4-chlorophenyl)-6-methyl-N5-[3-(9H-purin-6-yl)pyridin-2-yl]-isoquinoline-1,5-diamine

Molecular Formula: C26H19ClN8Molecular Weight: 478.935660 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: KKVYYGGCHJGEFJ-UHFFFAOYSA-N

• 3-CHLORO-N-[TRANS-4-(METHYLAMINO)CYCLOHEXYL]-N-[[3-(PYRIDIN-4-YL)PHENYL]METHYL]- BENZO[B]THIOPHENE-2-CARBOXAMIDE
IUPAC Name: 3-chloro-N-[4-(methylamino)cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide | CAS Registry Number: 912545-86-9
Synonyms: CHEMBL1221983, CHEMBL2160033, AC1NR49D, SureCN8437026, SureCN10029769, SureCN14707297, NCGC00347954-01, 3-chloro-N-[4-(methylamino)cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide, 3-Chloro-N-[trans-4-(methylamino)cyclohexyl]-N-[[3-(4-pyridinyl)phenyl]methyl]- benzo[b]thiophene-2-carboxamide, N-(3-(Pyridin-4yl)benzyl)-3-chloro-N-(4-(trans-methylamino)cyclohexyl)benzo[b] thiophene-2-carboxamide

Molecular Formula: C28H28ClN3OSMolecular Weight: 490.059420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: VFSUUTYAEQOIMW-UHFFFAOYSA-N

• 4-Pyridinecarboxaldehyde
IUPAC Name: pyridine-4-carbaldehyde | CAS Registry Number: 872-85-5
Synonyms: Isonicotinaldehyde, p-Pyridinealdehyde, 4-Pyridinealdehyde, Isonicotinic aldehyde, 4-Pyridylaldehyde, p-Formylpyridine, Pyridine-4-carbaldehyde, 4-FORMYLPYRIDINE, Pyridin-4-al, gamma-Formylpyridine, Pyridine-4-carboxaldehyde, Pyridine-4-ylcarboxaldehyde, P62402_ALDRICH, NSC 8953, EINECS 212-832-3, NSC8953, c1163, SBB004357, ZINC00157163, AI3-33232

Molecular Formula: C6H5NOMolecular Weight: 107.110000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BGUWFUQJCDRPTL-UHFFFAOYSA-N

• 2-(3-Pyridyl)piperidine
IUPAC Name: 3-[(2S)-piperidin-2-yl]pyridine | CAS Registry Number: 494-52-0
Synonyms: Anabasine, Neonicotine, Neonikotin, Anabasin, Anabazin, (-)-Anabasine, (S)-anabasine, S-(-)-Anabasine, Tocris-1971, CHEBI:74, 2-(3'-Pyridyl) piperidine, L-3-(2'-Piperidyl)pyridine, Piperidine, 2-(3-pyridyl)-, Pyridine, 3-(2-piperidyl)-, WLN: T6NJ C- BT6MTJ, ZERO/001717, (-)-2-(3'-Pyridyl)piperidine, 3-[(2S)-piperidin-2-yl]pyridine, NSC87504, CID205586

Molecular Formula: C10H14N2Molecular Weight: 162.231560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: MTXSIJUGVMTTMU-JTQLQIEISA-N

• 11Beta-Hydroxyprogesterone
IUPAC Name: (8S,9S,10R,11S,13S,14S,17S)-17-acetyl-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one | CAS Registry Number: 600-57-7
Synonyms: 21-Deoxycorticosterone, 11beta-Hydroxyprogesterone, 11-beta-Hydroxyprogesterone, 11.beta.-Hydroxyprogesterone, CHEBI:28247, EINECS 209-995-8, NSC 15469, NSC15469, 11-beta-Hydroxypregn-4-ene-3,20-dione, 11beta-hydroxypregn-4-ene-3,20-dione, Pregn-4-ene-3,20-dione, 11-beta-hydroxy-, LS-118695, Pregn-4-ene-3,20-dione, 11beta-hydroxy-, (11beta)-11-hydroxypregn-4-ene-3,20-dione, Pregn-4-ene-3,20-dione, 11.beta.-hydroxy-, Pregn-4-ene-3,20-dione, 11-hydroxy-, (11-beta)-, Pregn-4-ene-3,20-dione, 11beta-hydroxy- (8CI), Pregn-4-ene-3,20-dione, 11-hydroxy-, (11beta)-, Pregn-4-ene-3,20-dione, 11-hydroxy-, (11.beta.)-, Pregn-4-ene-3,20-dione, 11-hydroxy-, (11beta)- (9CI)

Molecular Formula: C21H30O3Molecular Weight: 330.461100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BFZHCUBIASXHPK-ATWVFEABSA-N

• (+)-JQ1 PA
IUPAC Name: 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-prop-2-ynylacetamide | CAS Registry Number: 2115701-93-2
Synonyms: HY-112789, CS-0064464

Molecular Formula: C22H20ClN5OSMolecular Weight: 437.900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: ZLSCJWMPQYKVKU-KRWDZBQOSA-N

• 25-Hydroxycholesterol
IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | CAS Registry Number: 2140-46-7
Synonyms: Cholest-5-ene-3beta,25-diol, 5-Cholestene-3beta,25-diol, (3beta)-cholest-5-en-3-ol, 25-Hydroxycholest-5-en-3-ol, CHEBI:42977, AIDS080407, AIDS-080407, CID65094, CPD-7285, LMST01010018, DB04705, (3BETA)-CHOLEST-5-ENE-3,25-DIOL, NCGC00181327-01, C15519, HC3, (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Molecular Formula: C27H46O2Molecular Weight: 402.652940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: INBGSXNNRGWLJU-ZHHJOTBYSA-N

• 3-(Diphenylmethylene)-1,1-diethyl-2-methylpyrrolidinium bromide
IUPAC Name: 3-benzhydrylidene-1,1-diethyl-2-methylpyrrolidin-1-ium bromide | CAS Registry Number: 4630-95-9
Synonyms: prifinium bromide, Padrin, Riabal, Pyrodifenium bromide, Padrin (TN), Prifinio bromuro [DCIT], Prifinium bromide [INN:JAN], Prifinii bromidum [INN-Latin], Prifinium bromide (JAN/INN), Bromure de prifinium [INN-French], Bromuro de prifinio [INN-Spanish], EINECS 225-051-8, C22H28N, LS-138326, D01377, 1,1-Diethyl-2-methyl-3-diphenylmethylenepyrrolidinium bromide, 3-(Diphenylmethylene)-1-ethyl-2-methylpyrrolidine ethyl bromide, Pyrrolidinium, 1,1-diethyl-3-diphenylmethylene-2-methyl-, bromide, Pyrrolidinium, 3-(diphenylmethylene)-1,1-diethyl-2-methyl-, bromide, 3-(diphenylmethylidene)-1,1-diethyl-2-methylpyrrolidinium bromide

Molecular Formula: C22H28BrNMolecular Weight: 386.368420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: UCGJZJXOPSNTGZ-UHFFFAOYSA-M

• 3-Pyridylacetic acid hydrochloride
IUPAC Name: 2-pyridin-3-ylacetic acid | CAS Registry Number: 6419-36-9
Synonyms: coletin, lessterol, lioxone, minedil, piridil, toneon, Piristerol, 3-pyridineacetic acid, 3-pyridylacetic acid, 3-Pyridinylacetic acid, pyridine-3-acetic acid, pyridin-3-ylacetic acid, 2-(3-pyridyl)acetic acid, NCIStruc1_001832, NCIStruc2_000005, Oprea1_245722, NSC70769, NCI70769, EINECS 207-928-7, EINECS 229-148-6

Molecular Formula: C7H7NO2Molecular Weight: 137.135980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: WGNUNYPERJMVRM-UHFFFAOYSA-N

• 1-Naphthyl PP1 hydrochloride
IUPAC Name: 1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride | CAS Registry Number: 956025-47-1
Synonyms: 1-Naphthyl PP1 (hydrochloride), 1-(tert-Butyl)-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine hydrochloride, SCHEMBL7037036, UKLRSYUALPIALU-UHFFFAOYSA-N, HY-13941B, AKOS025396393, CS-5384, AK174159, 1-tert-butyl-3-naphthalen-1-yl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine HCl, 1-tert-butyl-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine hydrochloride

Molecular Formula: C19H20ClN5Molecular Weight: 353.848600 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: UKLRSYUALPIALU-UHFFFAOYSA-N

• 2-Hydroxy-1,8-cineole
IUPAC Name: (4S)-2,2,4-trimethyl-3-oxabicyclo[2.2.2]octan-5-ol | CAS Registry Number: 60761-00-4

Molecular Formula: C10H18O2Molecular Weight: 170.252 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YVCUGZBVCHODNB-KTOWXAHTSA-N

• 6,7-Dihydroxy-4-Methylcoumarin
IUPAC Name: 6,7-dihydroxy-4-methylchromen-2-one | CAS Registry Number: 529-84-0
Synonyms: 4-Methylesculetin, Methylesculetin, 4-Methylesculetol, 4-Methylaesculetin, beta-Methylaesculetin, Spectrum_001029, SpecPlus_000495, 6,7-DIHYDROXY-4-METHYLCOUMARIN, Spectrum2_000617, Spectrum3_000592, Spectrum4_001864, Spectrum5_000428, 4-Methyl-6,7-dihydroxycoumarin, Oprea1_739367, BSPBio_002064, KBioGR_002330, KBioSS_001509, DivK1c_006591, SPECTRUM1500729, Coumarin, 6,7-dihydroxy-4-methyl-

Molecular Formula: C10H8O4Molecular Weight: 192.168120 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: KVOJTUXGYQVLAJ-UHFFFAOYSA-N

• (E)-2-Hydroxy-N'-((2-hydroxynaphthalen-1-yl)methylene)benzohydrazide
IUPAC Name: 2-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide | CAS Registry Number: 1099592-35-4
Synonyms: NSAH, (e)-2-hydroxy-n'-((2-hydroxynaphthalen-1-yl)methylene)benzohydrazide, SCHEMBL1637574, ZINC259636, 54009-54-0, AKOS001601386, J3.555.273A, SR-01000107671, 2'-(2-Hydroxy-1-naphthylmethylene)salicylohydrazide, SR-01000107671-1, N'-[(E)-2-Hydroxy-1-naphthylmethylene]-2-hydroxybenzhydrazide, OC1=CC=CC=C1C(=O)N\N=C\C1=C(O)C=CC2=CC=CC=C12

Molecular Formula: C18H14N2O3Molecular Weight: 306.300 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: ZZSJOLDICPVVAV-ODLFYWEKSA-N

• 1-Deoxynojirimycin
IUPAC Name: (2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol | CAS Registry Number: 19130-96-2
Synonyms: 1-DEOXYNOJIRIMYCIN, 1oim, 1-Deoxymannojirimycin, 1-Deoxy-Nojirimycin, nchembio.81-comp10, 1-deoxynojirimycin (DNJ), Bay n 5595, BSPBio_000993, 1,5-Deoxy-1,5-imino-D-mannitol, C6H13NO4, 2j77, AIDS000139, Bio1_000415, Bio1_000904, Bio1_001393, AIDS-000139, 1,5-Dideoxy-1,5-imino-D-glucitol, SMP2_000333, NCGC00025085-02, NCGC00025085-03

Molecular Formula: C6H13NO4Molecular Weight: 163.171720 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 5

InChIKey: LXBIFEVIBLOUGU-JGWLITMVSA-N

• (20S)-Protopanaxadiol
IUPAC Name: (3S,8R,9S,10R,12R,13S,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol | CAS Registry Number: 30636-90-9
Synonyms: CID182009, CID 182009

Molecular Formula: C30H52O3Molecular Weight: 460.732080 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: SOFRKDBOODGBCL-LNTRKWQZSA-N

• 3,8-DIHYDROXY-6H-DIBENZO[B,D]PYRAN-6-ONE
IUPAC Name: 3,8-dihydroxybenzo[c]chromen-6-one | CAS Registry Number: 1143-70-0
Synonyms: urolithin A, urolithin B, Sid 728419, CID5488186, 3,8-Dihydroxy-6H-dibenzo(b,d)pyran-6-one, 6H-Dibenzo(b,d)pyran-6-one, 3,8-dihydroxy-, C026423

Molecular Formula: C13H8O4Molecular Weight: 228.200220 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: RIUPLDUFZCXCHM-UHFFFAOYSA-N

• 4-[3-(METHYLSULFONYL)PHENYL]-1-PROPYLPIPERIDINE
IUPAC Name: 4-(3-methylsulfonylphenyl)-1-propylpiperidine | CAS Registry Number: 346688-38-8
Synonyms: PRIDOPIDINE, 4-[3-(Methylsulfonyl)phenyl]-1-propylpiperidine, ACR16, ACR 16, AG-F-18833, 4-(3-(Methylsulfonyl)phenyl)-1-propylpiperidine, FR310826, ACR16 compound, UNII-HD4TW8S2VK, Pridopidine (USAN/INN), Pridopidine [USAN:INN], SureCN166748, CHEMBL596802, CTK4H2809, CHEBI:696524, ASP 2314, DNC010449, AKOS015891431, AK136772, FR 310826

Molecular Formula: C15H23NO2SMolecular Weight: 281.413620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: YGKUEOZJFIXDGI-UHFFFAOYSA-N

• (±)-TRANS-ACPD
IUPAC Name: (1R,3R)-1-aminocyclopentane-1,3-dicarboxylic acid | CAS Registry Number: 67684-64-4
Synonyms: Lopac-A-155, CHEBI:274073, NSC27386, CID231345, CB 1712, NCGC00015010-01, (1R,3R)-1-Amino-cyclopentane-1,3-dicarboxylic acid, 1-Amino-cyclopentane-1,3-dicarboxylic acid(cis-(1R,3R)-ACPD)

Molecular Formula: C7H11NO4Molecular Weight: 173.166540 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: YFYNOWXBIBKGHB-CLZZGJSISA-N

• (R)-(-)-IBUPROFEN
IUPAC Name: (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid | CAS Registry Number: 51146-57-7
Synonyms: (-)-Ibuprofen, CHEBI:47835, (2R)-2-(4-isobutylphenyl)propanoic acid, (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid, alphaR-Sethyl-4-(2-methylpropyl)benzeneacetic acid, Benzeneacetic acid, alpha-methyl-4-(2-methylpropyl)-, (R)-, (R)-Ibuprofen, (R)-(-)-Ibuprofen, R-(-)-p-Isobutylhydratropic acid, l-Ibuprofen, (R)-2-(4-Isobutylphenyl)propanoic acid, (-)-Ibuprophen, IZP, SureCN29057, AC1L3G3Q, AC1Q5QI4, CHEMBL427526, CTK4J3759, KST-1A5323, AR-1A2623

Molecular Formula: C13H18O2Molecular Weight: 206.280820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HEFNNWSXXWATRW-SNVBAGLBSA-N

• 4-[6-[4-(1-piperazinyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]Quinoline
IUPAC Name: 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline | CAS Registry Number: 1062368-24-4
Synonyms: LDN193189, LDN 193189, LDN-193189, 4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidin-3-yl)quinoline, 4-{6-[4-(piperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl}quinoline, S2618_Selleck, SureCN456393, UNII-W69H5YQU9O, cc-233, CHEMBL513147, CHEBI:588756, BCP9000845, CS-0669, DM 3189, DM-3189, EX-8677, RL00282, NCGC00249389-01, HY-12071, KB-78111

Molecular Formula: C25H22N6Molecular Weight: 406.482380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: CDOVNWNANFFLFJ-UHFFFAOYSA-N

• 2-Tert-Amylanthraquinone 2-(1,1-Dimethylpropyl)anthraquinone
IUPAC Name: 2-(2-methylbutan-2-yl)anthracene-9,10-dione | CAS Registry Number: 32588-54-8
Synonyms: 2-tert-Amylanthraquinone, Anthraquinone, 2-tert-pentyl-, MLS000561775, EINECS 251-116-5, 2-(1,1-Dimethylpropyl)anthraquinone, 2-(1,1-Dimethyl-propyl)-anthraquinone, CID122909, ZINC04957471, BAS 00096248, LS-20328, SMR000173833, TL8000896, 9,10-Anthracenedione, 2-(1,1-dimethylpropyl)-, I14-1639, T0500-9424

Molecular Formula: C19H18O2Molecular Weight: 278.345020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: WUKWGUZTPMOXOW-UHFFFAOYSA-N

• 2'-Fucosyllactose
IUPAC Name: (2R,3R,4R,5R)-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanal | CAS Registry Number: 41263-94-9
Synonyms: CID170484, D-Glucose, O-6-deoxy-alpha-L-galactopyranosyl-(1-2)-O-beta-D-galactopyranosyl-(1-4)-

Molecular Formula: C18H32O15Molecular Weight: 488.437680 [g/mol]
H-Bond Donor: 10H-Bond Acceptor: 15

InChIKey: HWHQUWQCBPAQQH-BWRPKUOHSA-N

• (1E,6E)-1,7-Bis(3,4-dimethoxyphenyl)-4-(4-hydroxy-3-methoxybenzylidene)hepta-1,6-diene-3,5-dione
IUPAC Name: (1E,6E)-1,7-bis(3,4-dimethoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]hepta-1,6-diene-3,5-dione | CAS Registry Number: 1227098-15-8
Synonyms: AC17, CHEMBL1800965, (1E,6E)-1,7-bis(3,4-dimethoxyphenyl)-4-(4-hydroxy-3-methoxybenzylidene)hepta-1,6-diene-3,5-dione, BDBM50484021, T-63, 1,7-Bis(3,4-dimethoxyphenyl)-4-(4-hydroxy-3-methoxybenzylidene)hepta-1,6-diene-3,5-dione, 1415050-95-1

Molecular Formula: C31H30O8Molecular Weight: 530.600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: AYIYVEPNEPUJCF-GNXRPPCSSA-N

• 4-Chloro-3-Nitrobenzoic Acid
IUPAC Name: 4-chloro-3-nitrobenzoic acid | CAS Registry Number: 96-99-1
Synonyms: 3-Nitro-4-chlorobenzoic acid, Benzoic acid, 4-chloro-3-nitro-, WLN: WNR BG EVQ, 4-CHLORO-3-NITROBENZOIC ACID, CCRIS 3126, C60007_ALDRICH, NSC 8440, 25450_FLUKA, EINECS 202-550-9, NSC8440, Kyselina 4-chloro-3-nitrobenzoova, BRN 0783626, SBB000404, 4-CHLORO-3-NITROBENZOIC ACIC, Kyselina 4-chloro-3-nitrobenzoova [Czech], LS-36572, TL8006017, 4-09-00-01226 (Beilstein Handbook Reference), InChI=1/C7H4ClNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11

Molecular Formula: C7H4ClNO4Molecular Weight: 201.563960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: DFXQXFGFOLXAPO-UHFFFAOYSA-N

• (+)-TAXIFOLIN
IUPAC Name: (2R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one | CAS Registry Number: 17654-26-1
Synonyms: dihydroquercetin, Taxifoliol, Distylin, Catechin hydrate, Quercetin, dihydro-, TAXIFOLIN, 2,3-Dihydroquercetin, (2R,3R)-Dihydroquercetin, CCRIS 9292, EINECS 207-543-4, 3,3',4',5,7-Pentahydroxyflavanone, C15H12O7, CID10185, BRN 0093548, 3,5,7,3',4'-Pentahydroxyflavanone, Flavanone, 3,3',4',5,7-pentahydroxy-, NCGC00163631-01, LS-68937, Flavone, 2,3-dihydro-3,3',4',5,7-pentahydroxy-, 5-18-05-00451 (Beilstein Handbook Reference)

Molecular Formula: C15H12O7Molecular Weight: 304.251580 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 7

InChIKey: CXQWRCVTCMQVQX-YSSOQSIOSA-N

• 9-(2-Deoxy-2-Fluoro-Beta-D-Arabinofuranosyl)adenine
IUPAC Name: (2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol | CAS Registry Number: 20227-41-2
Synonyms: arabino-F-Ado, SCHEMBL1389499, CHEMBL2032002, 2'-Deoxy-2'-fluoroarabinoadenosine, CA-1707, 6-Aminopurine-2'-fluoro-D-2'-deoxyarabineoside, 9-(2-deoxy-2-fluoro-beta-d-arabinofuranosyl)adenine, (2R,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-ol

Molecular Formula: C10H12FN5O3Molecular Weight: 269.232383 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: ZGYYPTJWJBEXBC-GQTRHBFLSA-N

• 10-Gingerol
IUPAC Name: (E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one | CAS Registry Number: 555-66-8
Synonyms: Shogaol, 6-Shogaol, (6)-Shogaol, [6]-Shogaol, Ambap4006, CCRIS 2038, MEGxp0_001217, ACon1_001190, CID5281794, NCGC00169591-01, LS-59420, C10494, 4-Decen-3-one, 1-(4-hydroxy-3-methoxyphenyl), 4-DECEN-3-ONE, 1-(4-HYDROXY-3-METHOXYPHENYL)-

Molecular Formula: C17H24O3Molecular Weight: 276.370660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: OQWKEEOHDMUXEO-BQYQJAHWSA-N

• 1-HYDROXYBACCATIN I
Synonyms: NSC330755, CID433455

Molecular Formula: C32H44O14Molecular Weight: 652.683360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 14

InChIKey: LUTPIRPNUNHFEV-UHFFFAOYSA-N

• (1,2-Dioxoethylene)bis(iminoethylene) Bis(3-(3,5-Di-Tert-Butyl-4-Hydroxyphenyl)propionate)
IUPAC Name: 2-[[2-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethylamino]-2-oxoacetyl]amino]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate | CAS Registry Number: 70331-94-1
Synonyms: Naugard XL-1, CID93405, EINECS 274-572-7, (1,2-Dioxoethylene)bis(iminoethylene) bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate), Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, (1,2-dioxo-1,2-ethanediyl)bis(imino-2,1-ethanediyl) ester, Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-((1,2-dioxo-1,2-ethanediyl)bis(imino-2,1-ethanediyl)) ester

Molecular Formula: C40H60N2O8Molecular Weight: 696.913000 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: OXWDLAHVJDUQJM-UHFFFAOYSA-N

• 2,4,5-Trichloro-7H-pyrrolo[2,3-d]pyrimidine
IUPAC Name: 2,4,5-trichloro-7H-pyrrolo[2,3-d]pyrimidine | CAS Registry Number: 1053228-28-6
Synonyms: CTK4A3739, MolPort-009-199-022, ANW-45572, AKOS015850453, AG-L-20220, QC-3861, RP27407, AK-31644, AM802874, BR-31644, KB-225359, X8750

Molecular Formula: C6H2Cl3N3Molecular Weight: 222.459180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YUKWSCQSOXCSES-UHFFFAOYSA-N

• 1,18 - DIOL-OCTADECANE
IUPAC Name: octadecane-1,18-diol | CAS Registry Number: 3155-43-9
Synonyms: 1,18-Octadecanediol, octadecane-1,18-diol, AC1LAUEO, CTK1C0972, MolPort-001-779-930, AKOS016009469, AG-F-05245, AK112318, KB-259091, W1880

Molecular Formula: C18H38O2Molecular Weight: 286.493120 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: LUUFSCNUZAYHAT-UHFFFAOYSA-N

• 4-Bromo Diphenyl
IUPAC Name: 1-bromo-4-phenylbenzene | CAS Registry Number: 92-66-0
Synonyms: 4-BROMOBIPHENYL, p-Bromobiphenyl, 4-Bromodiphenyl, p-Bromodiphenyl, Biphenyl, 4-bromo-, 4-Biphenyl bromide, p-Phenylbromobenzene, p-Biphenylyl bromide, 4-Bromo-biphenyl, 4-Biphenylyl bromide, 1,1'-Biphenyl, 4-bromo-, p-Phenylphenyl bromide, (4-Bromophenyl)benzene, 4-Bromo-1,1'-biphenyl, CCRIS 5890, MLS002152887, 281999_ALDRICH, 36919_RIEDEL, 16480_FLUKA, EINECS 202-176-6

Molecular Formula: C12H9BrMolecular Weight: 233.103860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: PKJBWOWQJHHAHG-UHFFFAOYSA-N

• (E)-2-Cyano-3-(3,4-dihydroxyphenyl)-2-propenoic acid
IUPAC Name: (E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | CAS Registry Number: 122520-79-0
Synonyms: Tyrphostin AG 30, Tyrophostin AG 30, AG 30, CHEBI:222565, MolPort-004-308-958, AG-30, HSCI1_000132, alpha-Cyano-(3,4-dihydroxy)cinnamic acid, alpha-Cyano-3,4-dihydroxycinnamic acid, BBV-032857, CID5328793, benzylidenemalononitrile (BMN) deriv. 36, 2-cyano-3-(3,4-dihydroxyphenyl)acrylic acid, 2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid, 2-Propenoic acid, 2-cyano-3-(3,4-dihydroxyphenyl)-, (E)-, 2-propenoic acid, 2-cyano-3-(3,4-dihydroxyphenyl)-, (2E)-, 2-Propenoic acid, 2-cyano-3-(3,4-dihydroxyphenyl)-, (2E)- (9CI)

Molecular Formula: C10H7NO4Molecular Weight: 205.166880 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: CJMWBHLWSMKFSM-XVNBXDOJSA-N

• 7-Ethyl-10-Hydroxycamptothecin
Synonyms: Camptothecin analog, SN-38, 7-Ethyl-10-hydroxycamptothecin, SN38, SN 38, 7-Ethyl-10-hydroxy-camptothecin, Captothecin, 7-ethyl-10-hydroxy-, NSC673596, AIDS058635, AIDS-058635, 7-Ethyl-10-hydroxy-20(S)-CPT, 7-ethyl-10-hydroxy-20(s)-campthothecin, 7-Ethyl-10-hydroxy-20(S)-camptothecin, NCI60_026056, SL-00817, LS-127394, TL8005626, C11173, (4S)-4,11-Diethyl-4,9-dihydroxy-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4,7-diethyl-4,10-dihydroxy-

Molecular Formula: C22H20N2O5Molecular Weight: 392.404600 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: FJHBVJOVLFPMQE-QFIPXVFZSA-N

• 20(S)-Ginsenoside C-K
IUPAC Name: (2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol | CAS Registry Number: 39262-14-1
Synonyms: Ginsenoside K, MolPort-008-155-939, AB3000007, FT-0686561, N1890, X1141

Molecular Formula: C36H62O8Molecular Weight: 622.872680 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 8

InChIKey: FVIZARNDLVOMSU-IRFFNABBSA-N

• 3-(6,7-Dimethoxyquinazolin-4-yloxy)-N-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-4-methylbenzamide
IUPAC Name: 3-(6,7-dimethoxyquinazolin-4-yl)oxy-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide | CAS Registry Number: 1315330-17-6
Synonyms: SCHEMBL14690143, MFCD29991221

Molecular Formula: C32H34F3N5O4Molecular Weight: 609.600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 11

InChIKey: AMHWQBGAKJESFB-UHFFFAOYSA-N


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