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• ID-8
IUPAC Name: 1-(4-methoxyphenyl)-2-methyl-3-nitroindol-6-ol | CAS Registry Number: 147591-46-6
Synonyms: 1-(4-Methoxyphenyl)-2-methyl-3-nitro-1H-indol-6-ol, AC1LGAMV, BAS 00667177, Ambcb5280205, SureCN4063265, Oprea1_439044, Oprea1_684907, CBDivE_013358, ID 8, CTK8E8895, MolPort-000-743-887, ZINC00292702, AKOS000558433, MCULE-2303824939, NCGC00347945-01, KB-215009, 1-(4-methoxyphenyl)-2-methyl-3-nitroindol-6-ol, 1-(4-Methoxy-phenyl)-2-methyl-3-nitro-1H-indol-6-ol

Molecular Formula: C16H14N2O4Molecular Weight: 298.293360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: VVZNWYXIOADGSW-UHFFFAOYSA-N

• Idebenone
IUPAC Name: 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione | CAS Registry Number: 58186-27-9
Synonyms: idebenone, Cerestabon, Sovrima, Catena, Mnesis, Avan, Idebenonum [Latin], Idebenona [Spanish], Idebenone [INN:JAN], Idebenone (JAN/INN), SNT-MC17, MLS000759487, MLS001424002, QSA-10, BB_NC-1322, C19H30O5, CV 2619, CV-2619, BRN 2001459, ZINC01542890

Molecular Formula: C19H30O5Molecular Weight: 338.438500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: JGPMMRGNQUBGND-UHFFFAOYSA-N

• Ilomastat
IUPAC Name: (2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide | CAS Registry Number: 142880-36-2
Synonyms: Galardin, Galardin MPI, Ilomastat [USAN], Ilomastat (USAN/INN), GM 6001, CBiol_001883, BSPBio_001079, KBioGR_000419, KBioSS_000419, BCBcMAP01_000057, KBio2_000419, KBio2_002987, KBio2_005555, KBio3_000797, KBio3_000798, CS 610, Bio1_000169, Bio1_000658, Bio1_001147, Bio2_000370

Molecular Formula: C20H28N4O4Molecular Weight: 388.460720 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 4

InChIKey: NITYDPDXAAFEIT-DYVFJYSZSA-N

• Imatinib Mesylate
IUPAC Name: methanesulfonic acid; 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide | CAS Registry Number: 220127-57-1
Synonyms: Imatinib mesylate, Gleevec, Glivec, Imatinib mesilate, Gleevac, Gleevec (TN), Glivec (TN), Imatinib Methansulfonate, imatinib methanesulfonate, Imatinib mesilate (JAN), sti-571, HSDB 7142, MLS001401456, STI571, CHEBI:31690, STI 571, CGP 57148B, GGP-57148B, CGP 53715, CGP-57148

Molecular Formula: C30H35N7O4SMolecular Weight: 589.708400 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 10

InChIKey: YLMAHDNUQAMNNX-UHFFFAOYSA-N

• Importazole
IUPAC Name: N-(1-phenylethyl)-2-pyrrolidin-1-ylquinazolin-4-amine | CAS Registry Number: 662163-81-7
Synonyms: importazole, N-(1-phenylethyl)-2-pyrrolidin-1-ylquinazolin-4-amine, SMR000075319, N-(1-phenylethyl)-2-(1-pyrrolidinyl)-4-quinazolinamine, Importazole.HCl, AC1MHCUF, MLS000049391, MLS002546113, SCHEMBL3641493, CHEMBL1498173, STOCK5S-87649, CHEBI:95107, Importazole, >=98% (HPLC), AOB5576, MolPort-000-751-095, REGID_for_CID_2949965, HMS1618E07, HMS2346O21, HMS3430P01, EX-A1203

Molecular Formula: C20H22N4Molecular Weight: 318.424 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HKGJEZIGDHFJFL-UHFFFAOYSA-N

• Indirubin-3'-monoxime
IUPAC Name: 3-[3-(hydroxyamino)-1H-indol-2-yl]indol-2-one | CAS Registry Number: 160807-49-8
Synonyms: INDIRUBIN-3'-MONOXIME, indirubin-3'-oxime, Indirubin-3monoxime, indirubin-3-oxime, Indirubin-3-monoxime, indirubin-3'-monooxime, Indirubin-3′-monoxime, 3-[3-(Hydroxyamino)-1H-indol-2-yl]indol-2-one, (Z)-1H,1'H-[2,3']BIINDOLYLIDENE-3,2'-DIONE-3-OXIME, IXM, rubin-3-monoxime, Tocris-1813, AC1NS0ZU, BiomolKI_000070, Lopac-I-0404, BiomolKI2_000074, Lopac0_000619, BSPBio_001108, KBioGR_000448, KBioSS_000448

Molecular Formula: C16H11N3O2Molecular Weight: 277.277440 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: LDEWQRSYYHTQRA-UHFFFAOYSA-N

• Indoximod
IUPAC Name: (2R)-2-amino-3-(1-methylindol-3-yl)propanoic acid | CAS Registry Number: 110117-83-4
Synonyms: 1-Methyl-D-tryptophan, D-1MT, 452483_ALDRICH, NSC721782, NSC-721782, SMP2_000028

Molecular Formula: C12H14N2O2Molecular Weight: 218.251760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: ZADWXFSZEAPBJS-SNVBAGLBSA-N

• Iniparib
IUPAC Name: 4-iodo-3-nitrobenzamide | CAS Registry Number: 160003-66-7
Synonyms: 4-iodo-3-nitro-benzamide, CID9796068, EN002691

Molecular Formula: C7H5IN2O3Molecular Weight: 292.030670 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: MDOJTZQKHMAPBK-UHFFFAOYSA-N

• Ionomycin
IUPAC Name: (4R,6S,8S,10Z,12R,14R,16E,18R,19R,20S,21S)-11,19,21-trihydroxy-22-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-4,6,8,12,14,18,20-heptamethyl-9-oxodocosa-10,16-dienoic acid | CAS Registry Number: 56092-81-0
Synonyms: ionomycin, HSCI1_000207, CID6912226, Ionomycin, Free Acid, Streptomyces conglobatus, Ionomycin, Free Acid, Streptomyces conglobatus in Solution, (4R,6S,8S,10Z,12R,14R,16E,18R,19R,20S,21S)-11,19,21-trihydroxy-22-{(2S,2'R,5S,5'S)-5'-[(1R)-1-hydroxyethyl]-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl}-4,6,8,12,14,18,20-heptamethyl-9-oxodocosa-10,16-dienoic acid

Molecular Formula: C41H72O9Molecular Weight: 709.004980 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 9

InChIKey: PGHMRUGBZOYCAA-ADZNBVRBSA-N

• IOX1
IUPAC Name: 8-hydroxyquinoline-5-carboxylic acid | CAS Registry Number: 5852-78-8
Synonyms: 8-Hydroxy-5-quinolinecarboxylic acid, 5-Carboxy-8-hydroxyquinoline, CHEMBL1230640, 8-Hydroxyquinoline-5-Carboxylic Acid, 8XQ, AC1LA0UV, UNII-JM015YQC1C, SureCN6068195, IOX-1, MLS002729056, CTK1E0142, 5-Quinolinecarboxylic acid, 8-hydroxy-, NCGC00183784-01, NCGC00183784-02, NCGC00183784-03, NCGC00183784-04, SMR001600570

Molecular Formula: C10H7NO3Molecular Weight: 189.167480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: JGRPKOGHYBAVMW-UHFFFAOYSA-N

• IPA-3
IUPAC Name: 1-[(2-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol | CAS Registry Number: 42521-82-4
Synonyms: 1,1'-Dithiodi-2-naphthol, F0400-0044, 1-[(2-hydroxynaphthyl)disulfanyl]naphthalen-2-ol, ZINC01957909, AC1LAV4U, UNII-3XFG6MQ9G2, IPA 3, CHEMBL472940, 2-Naphthol, 1,1'-dithiodi-, CTK8G0340, MolPort-000-489-093, HMS3229J05, HMS3263P06, 2-Naphthalenol, 1,1'-dithiobis-, 1,1'-disulfanediyldinaphthalen-2-ol, Bis(2-hydroxy-1-naphthyl) disulfide, SBB083480, AKOS001589606, AG-F-51193, CCG-222576

Molecular Formula: C20H14O2S2Molecular Weight: 350.453960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: RFAXLXKIAKIUDT-UHFFFAOYSA-N

• IPTG
IUPAC Name: (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-propan-2-ylsulfanyloxane-3,4,5-triol | CAS Registry Number: 367-93-1
Synonyms: 1px4, nchembio.121-comp32, Isopropyl-beta-D-thiogalactoside, ARK037, ISOPROPYL THIOGALACTOSIDE, Isopropyl beta-D-thiogalactoside, Isopropyl-beta-D-thiogalactopyranoside, EINECS 206-703-0, Isopropy-beta-D-thiogalactopyranoside, ZINC04261913, Isopropyl beta-D-thiogalactopyranoside, 1-(Isopropylthio)-Beta-Galactopyranside, Isopropyl beta-D-1-thiogalactopyranoside, ISOPROPYL-1-BETA-D-THIOGALACTOSIDE, ST5319371, propan-2-yl 1-thio-beta-D-galactopyranoside, beta-D-Galactopyranoside, 1-methylethyl 1-thio-, IPT, 30323-26-3

Molecular Formula: C9H18O5SMolecular Weight: 238.301220 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: BPHPUYQFMNQIOC-NXRLNHOXSA-N

• Irinotecan hydrochloride trihydrate
Synonyms: Camptosar, Campto, Campto (TN), Irinotecan hydrochloride, CPT 11, CPT-11, Irinotecan hydrochloride hydrate, Irinotecan hydrochloride (USAN), Irinotecan hydrochloride [USAN:JAN], C35H41N3O5.3H2O.HCl, Irinotecan hydrochloride hydrate (JAN), IRINOTECAN HYDROCHLORIDE Trihydrate, LS-44590, D01061, (+)-7-Ethyl-10-hydroxycamptothecine 10-(1,4'-bipiperidine)-1'-carboxylate, monohydrochloride, trihydrate, (1,4'-Bipiperidine)-1'-carboxylic acid, 4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinolin-9-yl ester, monohydrochloride, trihydrate, (S)-, (1,4'-Bipiperidine)-1'-carboxylic acid, 4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinolin-9-yl ester, monohydrochloride,trihydrate, (S)-

Molecular Formula: C33H45ClN4O9Molecular Weight: 677.184800 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 11

InChIKey: KLEAIHJJLUAXIQ-JDRGBKBRSA-N

• ISO-1
IUPAC Name: methyl 2-[3-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,2-oxazolidin-5-yl]acetate | CAS Registry Number: 478336-92-4
Synonyms: MIF Antagonist, ISO-1, Macrophage Migration Inhibitory Factor Antagonist, ISO-1, methyl 2-(3-(4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)acetate, (S,R)-3-(4-Hydroxyphenyl)-4,5-dihydro-5-isoxazole acetic acid, methyl ester, SureCN668287, UNII-7QFF3Z0V9X, AC1O1KG2, CHEMBL210858, CTK8E8677, CHEBI:450301, IN1228, AKOS016011552, AK120645, KB-255018, 5-Isoxazoleacetic acid, 4,5-dihydro-3-(4-hydroxyphenyl)-, methyl ester, methyl 2-[3-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,2-oxazolidin-5-yl]acetate

Molecular Formula: C12H13NO4Molecular Weight: 235.235920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: CLVQGFPQFNASJH-UHFFFAOYSA-N

• Isradipine
IUPAC Name: 5-O-methyl 3-O-propan-2-yl 4-(2,1,3-benzoxadiazol-7-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 75695-93-1
Synonyms: isradipine, DynaCirc, Lomir, Isradipin, Isrodipine, Esradin, Prescal, Clivoten, Dynacirc CR, Dynacrine, Rebriden, DynaCire, Icaz, (+-)-Isradipine, Isradipinum [Latin], Isradipino [Spanish], DynaCire CR, (+/-)-Isradipine, DynaCirc (TN), Spectrum_000218

Molecular Formula: C19H21N3O5Molecular Weight: 371.387140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: HMJIYCCIJYRONP-UHFFFAOYSA-N

• ISX-9
IUPAC Name: N-cyclopropyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide | CAS Registry Number: 832115-62-5
Synonyms: isx 9, N-Cyclopropyl-5-(thiophen-2-yl)isoxazole-3-carboxamide, SCHEMBL509365, CHEMBL1222381, CTK8G1808, MolPort-002-759-392, SYENTKHGMVKGAQ-UHFFFAOYSA-N, Neuronal Differentiation Inducer III, AKOS004090583, MCULE-5086978565, NE59641, NCGC00182348-01, KB-274221, PB239260962, N-Cyclopropyl-5-(2-thienyl)-3-isoxazolecarboxamide, BRD-K53903639-001-01-3, N-cyclopropyl-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide

Molecular Formula: C11H10N2O2SMolecular Weight: 234.274300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: SYENTKHGMVKGAQ-UHFFFAOYSA-N

• Itraconazole
IUPAC Name: 2-butan-2-yl-4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one | CAS Registry Number: 84625-61-6
Synonyms: itraconazole, Oriconazole, Sporanox, Intraconazole, Itrizole, Itrizole (TN), Sporanox (TN), ITCZ, Itraconazol [Spanish], Itraconazolum [Latin], Itraconazole & Nyotran, Itraconazole (JAN/USAN), CHEBI:6076, Itraconazole & Bovine Lactoferrin, AIDS007334, AIDS093050, AIDS121432, AIDS-007334, AIDS-093050, AIDS-121432

Molecular Formula: C35H38Cl2N8O4Molecular Weight: 705.633420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 10

InChIKey: VHVPQPYKVGDNFY-ZPGVKDDISA-N

• IU1
IUPAC Name: 1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone | CAS Registry Number: 314245-33-5
Synonyms: CHEMBL1410015, F1142-1244, 1-(1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-(pyrrolidin-1-yl)ethanone, Usp14 inhibitor, AC1LDUCV, AC1Q2HNB, SureCN6923146, MLS001032847, MolPort-000-565-740, HMS1726C11, HMS2742M13, AKOS000811299, CCG-190730, MCULE-9620933012, QC-8208, NCGC00249377-01, SMR000363441, ST054127, MLS001032847-02, EN300-72884

Molecular Formula: C18H21FN2OMolecular Weight: 300.370543 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: JUWDSDKJBMFLHE-UHFFFAOYSA-N

• IWP-2
IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide | CAS Registry Number: 686770-61-6
Synonyms: CHEMBL1257064, F0579-0037, AC1M1SDF, CTK8F0084, MolPort-003-028-346, NSC753606, ZINC02719689, CCG-208106, MCULE-7176534795, NSC-753606, NCGC00347948-01, KB-107796, EU-0088954, FT-0670578, AB00668695-01, N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide, N-(6-Methyl-2-benzothiazolyl)-2-[(3,4,6,7-tetrahydro-4-oxo-3-phenylthieno[3,2-d]pyrimidin-2-yl)thio]-acetamide, N-(6-Methyl-2-benzothiazolyl)-2-[(3,4,6,7-tetrahydro-4-oxo-3-phenylthieno[3,2-d]pyrimidin-2-yl)thio]acetamide, N-(6-methylbenzo[d]thiazol-2-yl)-2-((4-oxo-3-phenyl-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide, N-(6-Methylbenzo[d]thiazol-2-yl)-2-(4-oxo-3-phenyl-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-ylthio)acetamide

Molecular Formula: C22H18N4O2S3Molecular Weight: 466.598920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: WRKPZSMRWPJJDH-UHFFFAOYSA-N

• JANEX-1
IUPAC Name: 4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol | CAS Registry Number: 202475-60-3
Synonyms: Janex 1, jak3 inhibitor i, WHI-P131, CHEMBL405130, WHI-P 131, IN1290, 4-[(6,7-Dimethoxy-4-quinazolinyl)amino]phenol, 4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol, 4-(4′-Hydroxyphenyl)amino-6,7-dimethoxyquinazoline, AC1L1GQ8, Lopac0_001238, SCHEMBL29295, CTK7A0027, HOZUXBLMYUPGPZ-UHFFFAOYSA-N, jak3 inhibitor I and WHI-P131, ZINC00009851, AKOS002350929, CS-1604, HY-15508, QC-11660

Molecular Formula: C16H15N3O3Molecular Weight: 297.308600 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: HOZUXBLMYUPGPZ-UHFFFAOYSA-N

• Jervine
IUPAC Name: 3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one | CAS Registry Number: 469-59-0
Synonyms: Iervin, JERVINE, NSC7520, Oprea1_026500, MLS001212077, The compound has not trivial name., NSC23898, CID222153, BAS 03241907, NCI60_041644, SMR000518437, Veratraman-11-one, 17,23-epoxy-3-hydroxy-, (3.beta.,23.beta.)-, WLN: L D6 B566 CV FX DU LUTJ A1 E1 OQ F-& CT56 BOX FMTJ D1 H1, Spiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]-pyridin]-11(1H)-one,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11a,11b-hexadecahydro-3-hydroxy-3',6',10,11b-tetramethyl-

Molecular Formula: C27H39NO3Molecular Weight: 425.603460 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: CLEXYFLHGFJONT-UHFFFAOYSA-N

• JNJ-1661010
IUPAC Name: N-phenyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide | CAS Registry Number: 681136-29-8
Synonyms: JNJ 1661010, AG-G-59868, 1-Piperazinecarboxamide, N-phenyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-, N1-phenyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide, N-phenyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide, ZINC01028145, ACMC-20emff, AC1MDCTI, AC1Q5LMB, SureCN1164398, Oprea1_746619, MLS001111246, CHEMBL460273, UNII-62521S57AU, CTK1J2536, CHEBI:550555, MolPort-001-806-365, HMS1662H10, HMS2801K13, HAN00375

Molecular Formula: C19H19N5OSMolecular Weight: 365.452060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: BHBOSTKQCZEAJM-UHFFFAOYSA-N

• JX 401
IUPAC Name: (4-benzylpiperidin-1-yl)-(2-methoxy-4-methylsulfanylphenyl)methanone | CAS Registry Number: 349087-34-9
Synonyms: JX401, JX-401, ZINC00865051, AC1LMANG, SureCN159145, Oprea1_085278, Oprea1_772012, STOCK3S-16640, CTK8E8797, MolPort-001-499-643, HMS3229J09, HMS3261N05, HMS3269J21, STK217901, AKOS000646768, CCG-221846, LP00542, MCULE-3489047821, NCGC00167816-01, NCGC00167816-02

Molecular Formula: C21H25NO2SMolecular Weight: 355.493700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: OMGLGPKQUFSRNN-UHFFFAOYSA-N

• JZL 184
IUPAC Name: (4-nitrophenyl) 4-[bis(1,3-benzodioxol-5-yl)-hydroxymethyl]piperidine-1-carboxylate | CAS Registry Number: 1101854-58-3
Synonyms: JZL184, 4-Nitrophenyl 4-(dibenzo[d][1,3]dioxol-5-yl(hydroxy)methyl)piperidine-1-carboxylate, JZL-184, UNII-7MZ1I2J68A, CHEMBL576786, GTPL5207, CTK8E9996, CHEBI:674401, MolPort-009-019-408, NCGC00263237-01, KB-78010, BRD-K45446451-001-01-9, S4904,JZL 184,1101854-58-3, 4-nitrophenyl 4-[bis(2H-1,3-benzodioxol-5-yl)(hydroxy)methyl]piperidine-1-carboxylate, 1-Piperidinecarboxylic acid, 4-(bis(1,3-benzodioxol-5-yl)hydroxymethyl)-, 4-nitrophenyl ester

Molecular Formula: C27H24N2O9Molecular Weight: 520.487460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 9

InChIKey: SEGYOKHGGFKMCX-UHFFFAOYSA-N

• K-252a
Synonyms: Antibiotic K 252a, Antibiotic SF 2370, K252a, SF 2370, CID127357, LS-64041, 9,1-Epoxy-1H-diindolo(1,2,3-fg:3',2',1'-kl)pyrrolo(3,4-i)(1,6)benzodiazocine-10-carboxylic acid, 2,3,9,10,11,12-hexahydro-10-hydroxy-9-methyl-1-oxo-, methyl ester, (9-alpha,10-beta,12-alpha)-, 9,12-Epoxy-1H-diindolo(1,2,3-fg:3',2',1'-kl)pyrrolo(3,4-i)(1,6)benzodiazocine-10-carboxylic acid, 2,3,9,10,11,12-hexahydro-10-hydroxy-9-methyl-1-oxo-, methyl ester, (9alpha,10beta,12alpha)-

Molecular Formula: C27H21N3O5Molecular Weight: 467.472740 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: KOZFSFOOLUUIGY-UHOLRESSSA-N

• K-252b
Synonyms: K-252b solution, CTK3I7353, FT-0627562, 9,12-Epoxy-1H-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1,6]benzodiazocine-10-carboxylicacid, 2,3,9,10,11,12-hexahydro-10-hydroxy-9-methyl-1-oxo-, (9S,10R,12R)-

Molecular Formula: C26H19N3O5Molecular Weight: 453.446160 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: AMSOPBXQXSAAAC-PLZPTFKGSA-N

• K858 (Racemic)
IUPAC Name: N-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamide | CAS Registry Number: 72926-24-0
Synonyms: CHEMBL1413473, N-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamide, AG-F-99522, 5671-55-6, K 858, AG-670/31936054, N-(4-acetyl-5-methyl-5-phenyl-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide, N-(4-Acetyl-5-methyl-5-phenyl-4,5-dihydro-[1,3,4]thiadiazol-2-yl)-acetamide, AC1MG3VP, CBMicro_027811, AC1Q1L3V, SureCN12762397, MLS000557730, CTK5A5606, MolPort-001-814-288, HMS2506C14, AKOS000671355, AG-L-65865, MCULE-4777557106, BAS 06574958

Molecular Formula: C13H15N3O2SMolecular Weight: 277.342100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: JEFVYQYZCAVNTP-UHFFFAOYSA-N

• Kainic acid
IUPAC Name: (2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid | CAS Registry Number: 487-79-6
Synonyms: kainic acid, Helminal, Digenin, Digenic acid, Kainate, Acidum kainicum, Acide kainique, Acido kainico, Digensaeure, Kainsaeure, L-alpha-Kainic acid, alpha-Kainic acid, alpha- Kainic acid, nchembio881-comp3, alpha-Allokainic acid, Kainic acid monohydrate, 1p1n, Kainic acid [INN:JAN], Acide kainique [INN-French], Acido kainico [INN-Spanish]

Molecular Formula: C10H15NO4Molecular Weight: 213.230400 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: VLSMHEGGTFMBBZ-OOZYFLPDSA-N

• Kartogenin
IUPAC Name: 2-[(4-phenylphenyl)carbamoyl]benzoic acid | CAS Registry Number: 4727-31-5
Synonyms: 2-[([1,1'-biphenyl]-4-ylamino)carbonyl]benzoic acid, 2-[(4-phenylphenyl)carbamoyl]benzoic acid, ST50171256, CBDivE_009769, AC1MCUNV, Maybridge3_004725, SureCN1336628, Oprea1_848730, cc-695, QCR-27, CTK4D0016, MolPort-000-519-533, HMS1444G17, RW3316, AKOS001267477, AG-E-08579, MCULE-7151426512, IDI1_016112, NCGC00263694-01, AK123406

Molecular Formula: C20H15NO3Molecular Weight: 317.338000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: SLUINPGXGFUMLL-UHFFFAOYSA-N

• KB-R7943 mesylate
IUPAC Name: methanesulfonic acid;2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl carbamimidothioate | CAS Registry Number: 182004-65-5
Synonyms: KB-R7943, 2-[2-[4-(4-NITROBENZYLOXY)PHENYL]ETHYL]ISOTHIOUREA MESYLATE, 2-(2-(4-(4-Nitrobenzyloxy)phenyl)ethyl)isothiourea, methane sulfonate, 4-((4-Nitrobenzyl)oxy)phenethyl carbamimidothioate methanesulfonate, CTK0H1228, MolPort-003-983-603, HMS3267H09, ABP000807, ANW-53711, IN1281, KB-R 7943, AKOS015940233, AG-E-31850, CCG-222451, CS-0848, AK-88524, HY-15415, KB-19278, KB-R7943 mesylate|182004-65-5|KB-R 7943, 2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl ester, methanesulfonate (1:1)

Molecular Formula: C17H21N3O6S2Molecular Weight: 427.495140 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: WGIKEBHIKKWJLG-UHFFFAOYSA-N

• Ketoconazole
IUPAC Name: 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone | CAS Registry Number: 65277-42-1
Synonyms: ketoconazole, Fungarest, Fungoral, Ketoderm, Nizoral, Ketoconazol, Ketoisdin, Panfungol, Xolegel, Extina, Orifungal M, Nizoral a-D, (+)-Ketoconazole, Prestwick_744, Ambap5952, Tocris-1103, (2R,4S)-ketoconazole, Prestwick0_000389, Prestwick1_000389, Prestwick2_000389

Molecular Formula: C26H28Cl2N4O4Molecular Weight: 531.430920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: XMAYWYJOQHXEEK-OZXSUGGESA-N

• KL001
IUPAC Name: N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(furan-2-ylmethyl)methanesulfonamide | CAS Registry Number: 309928-48-1
Synonyms: SMR000106264, N-(3-(9H-carbazol-9-yl)-2-hydroxypropyl)-N-(furan-2-ylmethyl)methanesulfonamide, N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-N-(furan-2-ylmethyl)methanesulfonamide, CBMicro_005790, ChemDiv2_003790, AC1MF41V, Oprea1_152161, Oprea1_419357, MLS000110334, MLS002540427, MLS006011739, CHEMBL1498001, SCHEMBL15380452, STOCK2S-64519, MolPort-000-687-454, OQAFDLPAPSSOHY-UHFFFAOYSA-N, HMS1379M06, HMS2371E17, SMSF0015860, STK839587

Molecular Formula: C21H22N2O4SMolecular Weight: 398.475380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: OQAFDLPAPSSOHY-UHFFFAOYSA-N

• Ko 143
Synonyms: tert-Butyl 3-((3S,6S,12aS)-6-isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-3-yl)propanoate, Ko-143, Ko143, CHEMBL488910, CTK8C0556, CHEBI:551889, ABP000297, ANW-64890, AKOS016005202, BCP9000818, CS-0298, AK103335, HY-10010, KB-78029, FT-0670686, Ko 143|461054-93-3|Ko143, S14-2693, (3S,6S,12aS)-,2,3,4,6,7,12,12a-Octahydro-9-methoxy-6-(2-methylpropyl)-1,4-dioxopyrazino[1',2':1,6]pyrido[3,4-b]indole-3-propanoic Acid 1,1-Dimethylethyl Ester, (3S,6S,12AS)-1,2,3,4,6,7,12,12A-OCTAHYDRO-9-METHOXY-6-(2-METHYLPROPYL)-1,4-DIOXOPYRAZINO[1',2':1,6]PYRIDO[3,4-B]INDOLE-3-PROPANOIC ACID 1,1-DIMETHYLETHYL ESTER

Molecular Formula: C26H35N3O5Molecular Weight: 469.573200 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: NXNRAECHCJZNRF-JBACZVJFSA-N

• KT5720
Synonyms: nchembio.79-comp19, InSolution™ KT5720, AIDS004395, AIDS-004395, CID454202, 9,12-Epoxy-1H-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1,6]benzodiazocine-10-carboxylic acid, 2,3,9,10,11,12-hexahydro-10-hydroxy-9-methyl-1-oxo-, hexyl ester, (9R,10R,12S)-rel-

Molecular Formula: C32H31N3O5Molecular Weight: 537.605640 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: ZHEHVZXPFVXKEY-RUAOOFDTSA-N

• KT5823
Synonyms: kt 5823, K1388_SIGMA, C29H25N3O5, CID108152, KT-5823, LS-172660, 9,12-Epoxy-1H-diindolo(1,2,3-fg:3',2',1'-kl)pyrrolo(3,4-i)(1,6)benzodiazocine-10-carboxylic acid, 2,3,9,10,11,12-hexahydro-10-methoxy-2,9-dimethyl-1-oxo-, methyl ester, (9R,10R,12R)-, 9,12-Epoxy-1H-diindolo(1,2,3-fg:3',2',1'-kl)pyrrolo(3,4-i)(1,6)benzodiazocine-10-carboxylic acid, 2,3,9,10,11,12-hexahydro-10-methoxy-2,9-dimethyl-1-oxo-, methyl ester, (9R-(9alpha,10beta,12alpha))-, 9-Methoxy-9-methoxycarbonyl-8-methyl-2,3,9,10-tetrahydro-8,11-epxoy-1H,8H,11H-2,7b-11a-triazadibenzo(a,g)cycloocta(cde)-trinden-1-one

Molecular Formula: C29H25N3O5Molecular Weight: 495.525900 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: QTYMDECKVKSGSM-YMUMJAELSA-N

• KU-55933
IUPAC Name: 2-morpholin-4-yl-6-thianthren-1-ylpyran-4-one | CAS Registry Number: 587871-26-9
Synonyms: nchembio.63-comp3, nchembio800-comp3, nchembio800_comp3, ATM Kinase Inhibitor, CHEBI:472228, AIDS284437, AIDS-284437, 2-Morpholin-4-yl-6-thianthren-1-yl-pyran-4-one, CID5278396, EC-000.1920, 2-Morpholin-4-yl-6-thianthren-1-ylpyran-4-one, C495818, 2-Morpholino-6-(thianthren-1-yl)-4H-pyran-4-one, CU-00000000010-1, 4H-Pyran-4-one, 2-(4-morpholinyl)-6-(1-thianthrenyl)-

Molecular Formula: C21H17NO3S2Molecular Weight: 395.494580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: XRKYMMUGXMWDAO-UHFFFAOYSA-N

• KY02111
IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)propanamide | CAS Registry Number: 1118807-13-8
Synonyms: T6355696, ZINC07485953, AC1P97UT, AKOS007976129, AM81229, MCULE-4275070249, QC-8207, NCGC00347949-01, Benzenepropanamide, N-(6-chloro-2-benzothiazolyl)-3,4-dimethoxy-, S7096,KY 02111,1118807-13-8, N-(6-chloro-1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)propanamide, N-(6-chlorobenzo[d]thiazol-2-yl)-3-(3,4-dimethoxyphenyl)propanamide

Molecular Formula: C18H17ClN2O3SMolecular Weight: 376.857180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: LXFKEVQQSKQXPR-UHFFFAOYSA-N

• L-A-PHOSPHATIDYLINOSITOL
IUPAC Name: [3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate | CAS Registry Number: 97281-52-2
Synonyms: Phosphatidyl Inositol, L-ALPHA-PHOSPHATIDYLINOSITOL, AGN-PC-00PFJV, L -alpha-Phosphatidylinositol, SureCN13481420, L-alpha-Phosphatidylinositol from Glycine max (soybean), [(2R)-3-[hydroxy-[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate

Molecular Formula: C45H87O13PMolecular Weight: 867.138242 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 13

InChIKey: FQZQXPXKJFOAGE-UHFFFAOYSA-N

• L-Kynurenine
IUPAC Name: (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid | CAS Registry Number: 2922-83-0
Synonyms: L-kynurenine, Kynurenine, L-, kynurenine, nchembio.125-comp7, 3-Anthraniloyl-L-alanine, bmse000172, beta-Anthraniloyl-L-alanine, CCRIS 4425, K8625_SIGMA, 3-(2-aminobenzoyl)-L-alanine, CHEBI:16946, CID161166, NCGC00163345-01, LS-29336, C00328, K-9020, L-2-Amino-4-(2-aminophenyl)-4-oxobutanoic acid, (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid, 343-65-7, KYN

Molecular Formula: C10H12N2O3Molecular Weight: 208.213880 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: YGPSJZOEDVAXAB-QMMMGPOBSA-N

• L-Theanine
IUPAC Name: 2-amino-5-(ethylamino)-5-oxopentanoic acid | CAS Registry Number: 3081-61-6
Synonyms: Theanine, L-Glutamine, N-ethyl-, Ngamma-Ethyl-L-glutamine, T6576_SIGMA, L-Glutamic acid gamma-(ethylamide), NSC21308, NCGC00095702-01

Molecular Formula: C7H14N2O3Molecular Weight: 174.197660 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: DATAGRPVKZEWHA-UHFFFAOYSA-N

• Lactacystin
IUPAC Name: (2R)-2-acetamido-3-[(3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carbonyl]sulfanylpropanoic acid | CAS Registry Number: 133343-34-7
Synonyms: lactacystin, NChemBio.2007.16-comp4, C15H24N2O7S, CHEBI:606509, Bio1_000949, CID3034764, LS-172867, L-Cysteine, N-acetyl-, (2R,3S,4R)-3-hydroxy-2-(1-hydroxy-2-methylpropyl)-4-methyl-5-oxo-2-pyrrolidinecarboxylate (ester), L-Cysteine, N-acetyl-, 3-hydroxy-2-(1-hydroxy-2-methylpropyl)-4-methyl-5-oxo-2-pyrrolidinecarboxylate (ester), (2R-(2alpha,2(S*),3alpha,4alpha))-, (R)-2-acetamido-3-((3S,4R)-3-hydroxy-2-((S)-1-hydroxy-2-methylpropyl)-4-methyl-5-oxopyrrolidine-2-carbonylthio)propanoic acid

Molecular Formula: C15H24N2O7SMolecular Weight: 376.425260 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 7

InChIKey: DAQAKHDKYAWHCG-WVDSPMRNSA-N

• Lapatinib
IUPAC Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine | CAS Registry Number: 231277-92-2
Synonyms: Tykerb, Lapatinib [INN], 1xkk, Lapatinib Ditosylate, nchembio866-comp20, Lapatinib tosilate hydrate, GW572016, CHEBI:49603, GSK 572016, GW 572016, CID208908, DB01259, NCGC00167507-01, LS-187029, LS-187771, FMM, N-{3-CHLORO-4-[(3-FLUOROBENZYL)OXY]PHENYL}-6-[5-({[2-(METHYLSULFONYL)ETHYL]AMINO}METHYL)-2-FURYL]-4-QUINAZOLINAMINE, 4-Quinazolinamine, N-(3-chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)-2-furanyl)-, N-(3-chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)-2-furanyl)-4-quinazolinamine, N-(3-Chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-((2-methylsulfonylethylamino)methyl)-2-furyl)quinazolin-4-amine

Molecular Formula: C29H26ClFN4O4SMolecular Weight: 581.057543 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 9

InChIKey: BCFGMOOMADDAQU-UHFFFAOYSA-N

• Latrunculin A
IUPAC Name: (4R)-4-[(1R,4S,5Z,7E,11Z,15R,17R)-17-hydroxy-4,11-dimethyl-13-oxo-14,18-dioxabicyclo[13.3.1]nonadeca-5,7,11-trien-17-yl]-1,3-thiazolidin-2-one | CAS Registry Number: 76343-93-6
Synonyms: latrunculin a, nchembio.176-comp7, CHEBI:525067, NSC613011, AIDS112130, AIDS-112130, CID445420, LAR, (R)-4-((1R,,12S,15R,17R)-17-hydroxy-5,12-dimethyl-3-oxo-2,16-dioxa-bicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl)thiazolidin-2-one, 2-Thiazolidinone, 4-(17-hydroxy-5,12-dimethyl-3-oxo-2,16- dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl)-, [1R-[1R*,4Z,8E,10Z,12S*,15R*,17R*(R*)]]-, 2-Thiazolidinone, 4-[(1R,4Z,8E,10Z,12S,15R,17R)-17-hydroxy-5,12-dimethyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-, (4R)-, 4-(17-HYDROXY-5,12-DIMETHYL-3-OXO-2,16-DIOXABICYCLO[13.3.1]NONADECA-4,8,10-TRIEN-17-YL)-2-THIAZOLIDINONE

Molecular Formula: C22H31NO5SMolecular Weight: 421.550240 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: DDVBPZROPPMBLW-IZGXTMSKSA-N

• Latrunculin B
IUPAC Name: (4R)-4-[(1R,4S,5Z,9Z,13R,15R)-15-hydroxy-4,9-dimethyl-11-oxo-12,16-dioxabicyclo[11.3.1]heptadeca-5,9-dien-15-yl]-1,3-thiazolidin-2-one | CAS Registry Number: 76343-94-7
Synonyms: latrunculin B, LAT-B, BSPBio_001189, BCBcMAP01_000226, CHEBI:530218, AIDS023786, HMS1990K11, AIDS-023786, Latrunculin B, Latrunculia magnifica, NSC339663, CID6436219, NSC 339663, IDI1_002180, SMP2_000317, NCGC00163459-03, BRD-K30455030-001-03-3, 2-Thiazolidinone, 4-(15-hydroxy-5,10-dimethyl-3-oxo-2,14-dioxabicyclo(11.3.1)heptadeca-4,8-dien-15-yl)-, (1R*,4Z,8Z,10S*,13R*,15R*(R*))-(+)-, 2-Thiazolidinone, 4-[(1R,4Z,8Z,10S,13R,15R)-15-hydroxy-5,10-dimethyl-3-oxo-2,14-dioxabicyclo[11.3.1]heptadeca-4,8-dien-15-yl]-, (4R)-, LAB

Molecular Formula: C20H29NO5SMolecular Weight: 395.512960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: NSHPHXHGRHSMIK-JRIKCGFMSA-N

• LDN-193189 HCl
IUPAC Name: 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline tetrahydrochloride | CAS Registry Number: 1062368-62-0
Synonyms: LDN193189 Hydrochloride, LDN-193189 hydrochloride, HY-12071A, CS-0670, LDN193189 Hydrochloride|1062368-62-0|LDN-193189 hydrochloride

Molecular Formula: C25H26Cl4N6Molecular Weight: 552.326140 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 5

InChIKey: NYHXPFHFIMRKDS-UHFFFAOYSA-N

• LDN-57444
IUPAC Name: [[5-chloro-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate | CAS Registry Number: 668467-91-2
Synonyms: AGN-PC-015JWF, CTK8E7168, IN1021, [(Z)-[5-chloro-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate

Molecular Formula: C17H11Cl3N2O3Molecular Weight: 397.639840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: OPQRFPHLZZPCCH-UHFFFAOYSA-N

• Leflunomide
IUPAC Name: 5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide | CAS Registry Number: 75706-12-6
Synonyms: leflunomide, Arava, lefunamide, Leflunomid, Prestwick_87, Arava (TN), Leflunomidum [INN-Latin], Leflunomide [USAN:INN], Spectrum_000322, Leflunomida [INN-Spanish], SU 101 (pharmaceutical), HWA 486, Prestwick0_000772, Prestwick1_000772, Prestwick2_000772, Prestwick3_000772, Spectrum5_000850, Lopac-L-5025, Lefunomide [Inn-Spanish], HWA-486

Molecular Formula: C12H9F3N2O2Molecular Weight: 270.207270 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: VHOGYURTWQBHIL-UHFFFAOYSA-N

• Lenalidomide
IUPAC Name: 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione | CAS Registry Number: 191732-72-6
Synonyms: Revlimid, Revimid, Revamid, IMiD3, Revlimid (TN), IMiD3 cpd, Lenalidomide [USAN], Lenalidomide (USAN/INN), CDC 501, CC-5013, Celgene brand of lenalidomide, Thalidomide analog CC-5013, STOCK6S-54938, CC 5013, ENMD-0997, IMID-5013, CDC-501, CDC-5013, CC5013, CID216326

Molecular Formula: C13H13N3O3Molecular Weight: 259.260620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: GOTYRUGSSMKFNF-UHFFFAOYSA-N

• Leonurine
IUPAC Name: 4-(diaminomethylideneamino)butyl 4-hydroxy-3,5-dimethoxybenzoate | CAS Registry Number: 24697-74-3
Synonyms: 4-Guanidino-n-butyl syringate, CID161464, TL8002025, Benzoic acid, 4-hydroxy-3,5-dimethoxy-, 4-((aminoiminomethyl)amino)butyl ester, 7097-09-8

Molecular Formula: C14H21N3O5Molecular Weight: 311.333640 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: WNGSUWLDMZFYNZ-UHFFFAOYSA-N

• Leptomycin B
IUPAC Name: (2E,10E,12E,16E,18E)-17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-19-(3-methyl-6-oxo-2,3-dihydropyran-2-yl)-8-oxononadeca-2,10,12,16,18-pentaenoic acid | CAS Registry Number: 87081-35-4
Synonyms: Elactocin, Probes1_000170, Probes2_000132, NSC364372, CID5458861, 2,10,12,16,18-Nonadecapentaenoic acid, 19-(3,6-dihydro-3-methyl-6-oxo-2H-pyran-2-yl)-17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-8-oxo-, 2,10,12,16,18-Nonadecaptentaenoic acid, 19-(3,6-dihydro-3-methyl-6-oxo-2H-pyran-2-yl)-17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-8-oxo-

Molecular Formula: C33H48O6Molecular Weight: 540.730620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: YACHGFWEQXFSBS-SAYXANOCSA-N


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