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• 2-(4-Morpholinyl)-8-Phenyl-4h-1-Benzopyran-4-One Hydrochloride
IUPAC Name: 2-morpholin-4-yl-8-phenylchromen-4-one | CAS Registry Number: 154447-36-6
Synonyms: nchembio790-comp36, Tocris-1130, 1yi3, BiomolKI_000029, Lopac-L-9908, BiomolKI2_000037, LY 294002, CBiol_002046, Lopac0_000710, BSPBio_001223, KBioGR_000563, KBioSS_000563, LY-294,002 hydrochloride, 2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one, LY294002, BCBcMAP01_000117, KBio2_000563, KBio2_003131, KBio2_005699, KBio3_001005

Molecular Formula: C19H17NO3Molecular Weight: 307.343180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: CZQHHVNHHHRRDU-UHFFFAOYSA-N

• 1h-Pyrrole-2,5-Dione, 3-(2,4-Dichlorophenyl)-4-(1-Methyl-1h-Indol-3-Yl)-
IUPAC Name: 3-(2,4-dichlorophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione | CAS Registry Number: 280744-09-4
Synonyms: Tocris-1616, Lopac-S-3442, Lopac0_000934, MLS001074894, S3442_SIGMA, SB 216763, SB-216763, CID176158, ZINC01493890, NCGC00015949-01, NCGC00025232-01, NCGC00025232-02, NCGC00025232-03, SMR000568414, LS-186079, EU-0100934, C417521, 3-(2,4-Dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione, 1H-Pyrrole-2,5-dione, 3-(2,4-dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-

Molecular Formula: C19H12Cl2N2O2Molecular Weight: 371.216780 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: JCSGFHVFHSKIJH-UHFFFAOYSA-N

• (Z)-3-(4-Iodophenyl)-2-mercapto-2-propenoic acid
IUPAC Name: (Z)-3-(4-iodophenyl)-2-sulfanylprop-2-enoic acid | CAS Registry Number: 179528-45-1
Synonyms: pd 150606, 3-(4-Iodophenyl)-2-mercapto-(Z)-2-propenoic acid, PD-150606, CHEMBL366254, CHEBI:417953, (2Z)-3-(4-iodophenyl)-2-mercapto-2-Propenoic acid

Molecular Formula: C9H7IO2SMolecular Weight: 306.120150 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: DJCVSFWGKYHMKH-YVMONPNESA-N

• N-(4-Acetyl-4,5-dihydro-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
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

• 1-(2-Trifluoromethylphenyl)Imidazole
IUPAC Name: 1-[2-(trifluoromethyl)phenyl]imidazole | CAS Registry Number: 25371-96-4
Synonyms: Trim, Tocris-0919, Lopac-T-7313, 1-TRIM, Lopac0_001200, BSPBio_001344, BSPBio_002476, KBioGR_000064, KBioSS_000064, MLS002153350, SPECTRUM1505102, T7313_SIGMA, 1-(2-Trifluoromethylphenyl)imidazole, 1-[2-(trifluoromethyl)phenyl]imidazole, KBio2_000064, KBio2_002632, KBio2_005200, KBio3_000127, KBio3_000128, CID1359

Molecular Formula: C10H7F3N2Molecular Weight: 212.171190 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: WZBWBNCQUTXYEL-UHFFFAOYSA-N

• 1-[(2,4-Dichlorophenyl)methyl]-1H-indazole-3-carboxylic acid
IUPAC Name: 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid | CAS Registry Number: 50264-69-2
Synonyms: lonidamine, Doridamina, Diclondazolic acid, Lonidamin, DICA, Doridamina (TN), Lonidamine (INN), Lonidamine [BAN:INN], Lonidaminum [INN-Latin], Tocris-1646, Lonidamina [INN-Spanish], Lopac-L-4900, CCRIS 3516, Lopac0_000718, MLS000028822, L4900_SIGMA, C15H10Cl2N2O2, AF 1890, CHEBI:50138, EINECS 256-510-0

Molecular Formula: C15H10Cl2N2O2Molecular Weight: 321.158100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: WDRYRZXSPDWGEB-UHFFFAOYSA-N

• 2-ACETYL-4(5)-(1,2,3,4-TETRAHYDROXYBUTYL)-IMIDAZOLE (THI)
IUPAC Name: 1-[5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-imidazol-2-yl]ethanone | CAS Registry Number: 94944-70-4
Synonyms: 2-Athbi, C9H14N2O5, 2-Acetyl-4-tetrahydroxybutylimidazole, CHEBI:600055, MolPort-006-416-085, CID108037, ZINC05114223, 2-Acetyl-4(5)-tetrahydroxybutylimidazole, EC-000.1919, LS-178250, I00001, 2-Acetyl-4(5)-(1,2,3,4-tetrahydroxybutyl)-imidazole (THI), 2-acetyl-4(5)-(1(R),2(S),3(R),4-tetrahydroxybutyl)-imidazole, 2-Acetyl-4(5)-(l(R),2(5),3(R),4-tetrahydroxybutyl)-imidazole, Ethanone, 1-(4-(1,2,3,4-tetrahydroxybutyl)-1H-imidazol-2-yl)-, (1R-(1R*,2S*,3R*))-

Molecular Formula: C9H14N2O5Molecular Weight: 230.217860 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 6

InChIKey: CQSIXFHVGKMLGQ-BWZBUEFSSA-N

• 2h-Pyrrolo[3,2-B]pyridin-2-One, 1,3-Dihydro-3-[(1-Methyl-1h-Indol-3-Yl)methylene]-
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

• 4-Hydroxyquinazoline
IUPAC Name: 1H-quinazolin-4-one | CAS Registry Number: 491-36-1
Synonyms: 4-Quinazolinol, 4-Quinazolone, 4-Quinazolinone, 4-Oxoquinazoline, 4(1H)-Quinazolinone, 4(3H)-Quinazolinone, 4(3H)-Quinazolone, Quinazolin-4(1H)-one, quinazolin-4(3H)-one, QUINAZOLONE, 4-, UPCMLD-DP009, CCRIS 6801, 4-HQN, H57807_ALDRICH, MLS000551010, NSC 5863, UPCMLD-DP009:001, EINECS 207-735-8, NSC5863, SBB005858

Molecular Formula: C8H6N2OMolecular Weight: 146.146040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QMNUDYFKZYBWQX-UHFFFAOYSA-N

• 4-(4-Bromo-2-Fluoroanilino)-6-Methoxy-7-[(1-Methylpiperidin-4-Yl)methoxy]quinazoline
IUPAC Name: N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine | CAS Registry Number: 443913-73-3
Synonyms: Vandetanib, Zactima, vande-tanib, 2ivu, Vandetanib [INN], Vandetanib (JAN/INN), ZD6474, UNII-YO460OQ37K, CHEBI:49960, ZD 6474, ZD-6474, AZD-6474, CID3081361, NCGC00167513-01, LS-184394, D06407, C452423, N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-((1-methyl-4-piperidinyl)methoxy)-4-quinazolinamine, N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-((1-methylpiperidin-4-yl)methoxy)quinazolin-4-amine, 4-Quninazolinamine, N-(4-bromo-2-fluorophenyl)-6-methoxy-7-((1-methyl-4-piperidinyl)methoxy)-

Molecular Formula: C22H24BrFN4O2Molecular Weight: 475.353963 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: UHTHHESEBZOYNR-UHFFFAOYSA-N

• 2-Phenoxybenzoic acid-[(5-methyl-2-furanyl)methylene]hydrazide
IUPAC Name: N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-phenoxybenzamide | CAS Registry Number: 113906-27-7
Synonyms: PNU-74654, SureCN3514174, Benzoic acid, 2-phenoxy-, 2-[(5-methyl-2-furanyl)methylene]hydrazide

Molecular Formula: C19H16N2O3Molecular Weight: 320.341940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: JJEDWBQZCRESJL-MOSHPQCFSA-N

• 3-HYDROXY-NAPHTHALENE-2-CARBOXYLIC ACID (3,4-DIHYDROXY-BENZYLIDENE)-HYDRAZIDE MONOHYDRATE
IUPAC Name: 3-hydroxy-N'-[(E)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]naphthalene-2-carbohydrazide | CAS Registry Number: 304448-55-3
Synonyms: Dynasore, 3-Hydroxy-naphthalene-2-carboxylic acid (3,4-dihydroxy-benzylidene)-hydrazide, AC1NX0EF, ARONIS018918, CHEMBL1209885, Dynasore|304448-55-3, QCR-252, CHEBI:783692, MolPort-001-631-927, STK028329, AKOS000486035, CS-1340, LS41105, MCULE-2484858584, UPCMLD0ENAT5920180:001, BAS 00165489, HY-15304, ST036482, T4110699, T6724739

Molecular Formula: C18H14N2O4Molecular Weight: 322.314760 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: NRQJUIHYFNUXFT-ZHACJKMWSA-N

• 3,4-Methylenedioxy-Beta-Nitrostyrene
IUPAC Name: 5-[(E)-2-nitroethenyl]-1,3-benzodioxole | CAS Registry Number: 1485-00-3
Synonyms: Syk Inhibitor III, 3,4-Methylenedioxy-beta-nitrostyrene, NSC 10120, 1,3-Benzodioxole, 5-nitrovinyl-, Hg~BAHAEnISdfue[Yt{ZX@bbAFP, NSC 105303, NSC 170724, 3,4-Methylenedioxy-.beta.-nitrostyrene, BRN 0192350, 3,4-Methylenedioxy-.omega.-nitrostyrene, CID672296, ZINC00033976, 1,3-Benzodioxole, 5-(2-nitroethenyl)-, Styrene, 3,4-methylenedioxy-beta-nitro-, AI3-02050, FR-0420, RH01697, LS-147225, 5-19-01-00545 (Beilstein Handbook Reference)

Molecular Formula: C9H7NO4Molecular Weight: 193.156180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: KFLWBZPSJQPRDD-ONEGZZNKSA-N

• (2'Z,3'E)-6-BROMOINDIRUBIN-3'-OXIME
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

• 4-PYRIDINECARBOXYLIC ACID, 2-[(2-HYDROXY-1-NAPHTHALENYL)METHYLENE]HYDRAZIDE
IUPAC Name: N'-[(Z)-(2-oxonaphthalen-1-ylidene)methyl]pyridine-4-carbohydrazide | CAS Registry Number: 796-42-9
Synonyms: 2-H-1-NI-hydrazone, 311 cpd, CBDivE_006818, MLS002702858, CHEBI:483749, MolPort-000-279-918, NSC51355, STK037070, CID5353827, NCI60_004242, SMR001495738, 2-Hydroxy-1-naphthylaldehyde isonicotinoyl hydrazone, 2-hydroxy-1-naphthaldehyde isonicotinoyl hydrazone, C120275, N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]pyridine-4-carbohydrazide

Molecular Formula: C17H13N3O2Molecular Weight: 291.304020 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: UBECDIQQXGETMR-PTNGSMBKSA-N

• 2-(3-(6-Methylpyridin-2-yl)-1H-pyrazol-4-yl)-1,5-naphthyridine
IUPAC Name: 2-[5-(6-methylpyridin-2-yl)-1H-pyrazol-4-yl]-1,5-naphthyridine | CAS Registry Number: 446859-33-2
Synonyms: 1vjy, ALK5 Inhibitor II, CHEBI:406655, TGF-beta RI Kinase Inhibitor II, CID449054, IN1052, EN002636, 2-[3-(6-methylpyridin-2-yl)-2H-pyrazol-4-yl]-1,5-naphthyridine, Transforming Growth Factor-beta Type I Receptor Kinase Inhibitor II, 2-[3-(6-Methyl-pyridin-2-yl)-1H-pyrazol-4-yl]-[1,5]naphthyridine

Molecular Formula: C17H13N5Molecular Weight: 287.318620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: LBPKYPYHDKKRFS-UHFFFAOYSA-N

• 1-Isopropyl-1H-1,2,3-benzotriazole-5-carboxylic acid
IUPAC Name: 1-propan-2-ylbenzotriazole-5-carboxylic acid | CAS Registry Number: 306935-41-1
Synonyms: 1-isopropyl-1h-1,2,3-benzotriazole-5-carboxylic acid, 1-Isopropylbenzotriazole-5-carboxylic acid, 1-propan-2-ylbenzotriazole-5-carboxylic acid, 1-Isopropyl-1,2,3-benzotriazole-5-carboxylic acid, SBB053479, 1-isopropyl-1h-benzo[d][1,2,3]triazole-5-carboxylic acid, 1-(methylethyl)benzotriazole-5-carboxylic acid, Maybridge1_005244, ACMC-1AKAU, ibc 293, SureCN839123, AC1MC65B, Oprea1_143042, CHEMBL381638, IBC293, CTK1C1524, HMS556G08, CHEBI:438242, MolPort-000-144-879, HMS3269G15

Molecular Formula: C10H11N3O2Molecular Weight: 205.213240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: RUTVRAJKELSHCC-UHFFFAOYSA-N

• (S)-(-)-4-Bromotetramisole oxalate
IUPAC Name: (6S)-6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole | CAS Registry Number: 62284-79-1
Synonyms: Lopac-190047, Lopac0_000021, ZINC00056495, NCGC00014990-01

Molecular Formula: C11H11BrN2SMolecular Weight: 283.187440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HTHGAIADRJRJOY-SNVBAGLBSA-N

• 2-PROPANONE, 1-(3-ETHYL-5-METHOXY-2(3H)-BENZOTHIAZOLYLIDENE)-, (1Z)-
IUPAC Name: 1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one | CAS Registry Number: 719277-26-6
Synonyms: 300801-52-9, AC1LDH4A, SureCN2977830, (1Z)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2(3H)-ylidene)propan-2-one, CTK2H3129, CTK8E8952, MCULE-4199431303, 1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one, (1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2(3H)-ylidene)propan-2-one, 2-Propanone, 1-(3-ethyl-5-methoxy-2(3H)-benzothiazolylidene)-, (1Z)-

Molecular Formula: C13H15NO2SMolecular Weight: 249.328700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: BGVLELSCIHASRV-UHFFFAOYSA-N

• 3-(2,4-Dichloro-5-methoxyphenyl)-2,3-dihydro-2-thioxo-4(1H)-quinazolinone
IUPAC Name: 3-(2,4-dichloro-5-methoxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one | CAS Registry Number: 338967-87-6
Synonyms: Mdivi-1, 3-(2,4-dichloro-5-methoxyphenyl)-2-sulfanyl-4(3H)-quinazolinone, MLS000326208, Bionet1_002447, AC1MY41U, Oprea1_325089, CTK8E8741, HMS575G09, MolPort-002-874-714, HMS2300O14, AKOS005095924, 6L-585S, SMR000170329, 3-(2,4-dichloro-5-methoxyphenyl)-2-mercaptoquinazolin-4(3H)-one, S7162,338967-87-6, 3-(2,4-dichloro-5-methoxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one, 3-(2,4-Dichloro-5-methoxyphenyl)-2,3-dihydro-2-thioxo-4(1H)-quinazolinone

Molecular Formula: C15H10Cl2N2O2SMolecular Weight: 353.223100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: NZJKEVWTYMOYOR-UHFFFAOYSA-N

• 6-Nitro-1h-1lambda6-Benzo[B]Thiophene-1,1-Dione
IUPAC Name: 6-nitro-1-benzothiophene 1,1-dioxide | CAS Registry Number: 19983-44-9
Synonyms: Stattic, Stat three inhibitory compound, 6-nitro-1-benzothiophene 1,1-dioxide, STAT3 Inhibitor V, Stattic, CHEMBL1337170, 6-Nitrobenzo[b]thiophene 1,1-dioxide, 6-Nitrobenzo[b]thiophene-1,1-dioxide, ZINC00162014, 6-nitro-1, AC1MCWHD, Maybridge1_005148, STAT3 INHIBITOR V, AC1Q1Y5K, SureCN1156180, CTK8E5442, HMS556B22, MolPort-000-880-821, 6-nitrobenzo[b]thiole-1,1-dione, HMS3263A18, SBB094472

Molecular Formula: C8H5NO4SMolecular Weight: 211.194600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: ZRRGOUHITGRLBA-UHFFFAOYSA-N

• 2-Piperazinone, 4-[[(4R,5S)-4,5-bis(4-chlorophenyl)-4,5-dihydro-2-[4-methoxy-2-(1-methylethoxy)phenyl]-1H-imidazol-1-yl]carbonyl]-, rel-
IUPAC Name: 4-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one | CAS Registry Number: 548472-68-0
Synonyms: Nutlin-3, nchembio774-comp1, (+/-)-Nutlin3, N6287_SIGMA, MDM2 Antagonist, Nutlin-3, Racemic, NCGC00165848-01, ()-4-[4,5-Bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxy-phenyl)-4,5-dihydro-imidazole-1-carbonyl]-piperazin-2-one

Molecular Formula: C30H30Cl2N4O4Molecular Weight: 581.489600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: BDUHCSBCVGXTJM-UHFFFAOYSA-N

• 4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidin-3-yl)quinoline hydrochloride
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

• 1,10-Phenanthrolinium Chloride Monohydrate
IUPAC Name: 1,10-phenanthrolin-10-ium;chloride;hydrate | CAS Registry Number: 18851-33-7
Synonyms: ACMC-1BS0T, 1,10-PHENANTHROLINIUM CHLORIDE MONOHYDRATE

Molecular Formula: C12H11ClN2OMolecular Weight: 234.681540 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: NDLHUHRGAIHALB-UHFFFAOYSA-N

• 2-[(2-Hydroxynaphthalen-1-ylmethylene)amino]-N-(1-phenethyl)benzamide
IUPAC Name: 2-[(2-oxonaphthalen-1-ylidene)methylamino]-N-[(1R)-1-phenylethyl]benzamide | CAS Registry Number: 410536-97-9
Synonyms: Sirtinol, ZINC01226846, CID6982970

Molecular Formula: C26H22N2O2Molecular Weight: 394.465080 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: YUGODMKHHCZZOI-GOSISDBHSA-N

• 5-Fluorouracil
IUPAC Name: 5-fluoro-1H-pyrimidine-2,4-dione | CAS Registry Number: 51-21-8
Synonyms: fluorouracil, Fluoroplex, Adrucil, Efudex, Fluoroblastin, Kecimeton, Carzonal, Fluracil, Timazin, Arumel, Efudix, Fluril, Phthoruracil, Fluracilum, Queroplex, Carac, Ulup, Fluro Uracil, Fluorouracilum, Fluroblastin

Molecular Formula: C4H3FN2O2Molecular Weight: 130.077223 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: GHASVSINZRGABV-UHFFFAOYSA-N

• 2-aminoethoxydiphenyl borate
IUPAC Name: 2-di(phenyl)boranyloxyethanamine | CAS Registry Number: 524-95-8
Synonyms: Borinic acid, 2-Aminoethyl diphenylborinate, Diphenylborinic acid, 2-APB, 2-Aminoethoxydiphenylborane, Tocris-1224, 2-aminoethoxydephenylborate, (2-Aminoethoxy)diphenylborane, 2-Aminoethoxydiphenylborate, 2-Aminoethyl diphenyl borate, B-(2-Aminoethoxy)diphenylborane, BSPBio_002506, (2-Aminoethoxy)(diphenyl)borane, D9754_SIGMA, SPECTRUM1505120, SPECTRUM1505159, o-(2-Aminoethyl)diphenylborinic acid, NSC17107, 42810_FLUKA, EINECS 208-366-5

Molecular Formula: C14H16BNOMolecular Weight: 225.093940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: BLZVCIGGICSWIG-UHFFFAOYSA-N

• 4-(4-CHLOROPHENYL)-3-METHYL-3-BUTEN-2-ONE OXIME
IUPAC Name: (NE)-N-[(Z)-4-(4-chlorophenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine | CAS Registry Number: 55224-94-7
Synonyms: 4-(4-CHLOROPHENYL)-3-METHYLBUT-3-EN-2-OXIME, AP-18

Molecular Formula: C11H12ClNOMolecular Weight: 209.672080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: MHTJEUOFLVQMCL-XTYDYKDCSA-N

• 2-Piperidinecarboxylic acid, 1-[(2S)-5-[(aminoiminomethyl)amino]-1-oxo-2-[[(1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl]amino]pentyl]-4-methyl-, (2R,4R)-
IUPAC Name: (2R,4R)-1-[5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid | CAS Registry Number: 74863-84-6
Synonyms: argatroban, NCGC00164592-01, TL8005144, C04931, (2R,4R)-4-Methyl-1[Nalpha-[(3-methyl-1,2,3,4-tetrahydro-8-quinolinyl)sulfonyl]-L-arginyl)]-2-piperadinecarboxylic acid

Molecular Formula: C23H36N6O5SMolecular Weight: 508.634140 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 10

InChIKey: KXNPVXPOPUZYGB-VSVYTNTFSA-N

• 5-[(2R)-2-([(2R)-2-(3-CHLOROPHENYL)-2-HYDROXYETHYL]AMINO)PROPYL]-1,3-BENZODIOXOLE-2,2-DICARBOXYLATE DISODIUM
IUPAC Name: sodium;5-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate | CAS Registry Number: 151126-84-0
Synonyms: CL 316243 disodium salt, CTK8E7229

Molecular Formula: C20H18ClNNaO7-Molecular Weight: 442.802189 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: DBEDHSNRCKDNPA-UHFFFAOYSA-L

• 3,6-Dibromo-α-[(phenylamino)methyl]-9H-carbazole-9-ethanol
IUPAC Name: 1-anilino-3-(3,6-dibromocarbazol-9-yl)propan-2-ol | CAS Registry Number: 301353-96-8
Synonyms: 1-(3,6-Dibromo-carbazol-9-yl)-3-phenylamino-propan-2-ol, P7C3, 1-(3,6-dibromocarbazol-9-yl)-3-(phenylamino)propan-2-ol, 1-(3,6-dibromo-9H-carbazol-9-yl)-3-(phenylamino)propan-2-ol, ACMC-20drae, AC1MDFZ4, SureCN410147, Oprea1_535378, Oprea1_634683, AC1Q77K8, CHEMBL2442630, STOCK1S-12220, CTK7J6607, MolPort-000-711-933, STK835004, AKOS000630504, AG-A-13272, MCULE-6993557707, BAS 00340480, KB-62466

Molecular Formula: C21H18Br2N2OMolecular Weight: 474.188420 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: FZHHRERIIVOATI-UHFFFAOYSA-N

• 1-(2-Chlorophenyl)-N-methyl-n-(1-methylpropyl)-3-isoquinolinecarboxamide
IUPAC Name: N-butan-2-yl-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide | CAS Registry Number: 85532-75-8
Synonyms: Biomol-NT_000287, PK 11195, Lopac0_000198, MLS000028483, C0424_SIGMA, BPBio1_001278, PK11195, CID1345, CHEBI:115591, CHEBI:115645, CHEBI:624371, CHEBI:624372, MolPort-003-940-598, PK-11195, RP 52028, BRN 4264456, PDSP1_000637, PDSP2_000632, (3H)PK11195, NCGC00015205-03

Molecular Formula: C21H21ClN2OMolecular Weight: 352.857240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RAVIZVQZGXBOQO-UHFFFAOYSA-N

• 17-Allylaminogeldanamycin
IUPAC Name: [(3R,5S,6R,7S,8E,10S,11S,12E,14E)-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-21-(prop-2-enylamino)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate | CAS Registry Number: 75747-14-7
Synonyms: Tanespimycin [USAN], 17-(Allylamino)geldanamycin, 17AAG, KOS-953, NSC 330507, Cp 127374, 17-Demethoxy-17-allylamino geldanamycin, 17-(Allylamino)-17-demethoxygeldanamycin, NSC-330507, NCGC00162425-01, LS-183128, Geldanamycin, 17-(Allylamino)-17-demethoxy-, Geldanamycin, 17-demethoxy-17-(2-propenylamino)-, AAG, (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-Hydroxy-8,14-dimethoxy-4,10,12,16- tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo(16.3.1)docosa- 1(21),4,6,10,18-penten-9-yl carbamate

Molecular Formula: C31H43N3O8Molecular Weight: 585.688420 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 9

InChIKey: AYUNIORJHRXIBJ-HTLBVUBBSA-N

• 4,5,6,7-Tetrachloroindane-1,3-dione
IUPAC Name: 4,5,6,7-tetrachloroindene-1,3-dione | CAS Registry Number: 30675-13-9
Synonyms: 4,5,6,7-Tetrachloroindan-1,3-dione, 4,5,6,7-Tetrachloro-1H-indene-1,3(2H)-dione, UCH-L3 Inhibitor, Ubiquitin Thiolesterase L3 Inhibitor, SBB054653, AG-F-01198, Ubiquitin C-Terminal Esterase L3 Inhibitor, Ubiquitin C-Terminal Hydrolase L3 Inhibitor, 4,5,6,7-tetrachloro-2H-indene-1,3-dione, Maybridge1_006552, AC1MBP0F, SureCN5819833, CHEMBL1241028, CTK4G5564, HMS560B18, MolPort-000-145-737, ANW-73173, CCG-51207, RW3397, AKOS016008550

Molecular Formula: C9H2Cl4O2Molecular Weight: 283.922980 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: IDLAOWFFKWRNHB-UHFFFAOYSA-N

• 2-Cyano-3-OH-N-(4-trifluoromethylphenyl) crotonamide
IUPAC Name: (2Z)-2-[hydroxy-[4-(trifluoromethyl)anilino]methylidene]-3-oxobutanenitrile | CAS Registry Number: 108605-62-5
Synonyms: Teriflunomide, Flucyamide, Teriflunomide [INN], Active metabolite of leflunomide, SU 20, C12H9F3N2O2, AIDS013145, AIDS-013145, HMR 1726, HMR-1726, A77 1726, RS 61980, SU-0020, A771726, LS-46899, RS-61980, A 771726, A-771726, 2-Cyano-3-hydroxy-N-(4-(trifluoromethyl)phenyl)-2-butenamide, C072876

Molecular Formula: C12H9F3N2O2Molecular Weight: 270.207270 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: SVEAYFSEBQSZJU-KHPPLWFESA-N

• 2-(3,4-dimethoxyphenyl)-4h-benzo[h]chromen-4-one
IUPAC Name: 2-(3,4-dimethoxyphenyl)benzo[h]chromen-4-one | CAS Registry Number: 14756-24-2
Synonyms: CHEMBL2420083, ST072642, 2-(3,4-dimethoxyphenyl)benzo[h]chromen-4-one, DiMNF, NSC123391, AC1Q6ANU, SureCN4650074, AC1L5J69, CTK0E9066, MolPort-004-960-119, AR-1C7113, CCG-23502, ZINC00057673, AKOS001683486, AG-K-16872, MCULE-8249617725, NSC 123391, NSC-123391, EU-0082241, 2-(3,4-Dimethoxyphenyl)-benzo[h]chromen-4-one

Molecular Formula: C21H16O4Molecular Weight: 332.349340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: QDZQDIUUJDAORK-UHFFFAOYSA-N

• 1-(2-[bis(4-Fluorophenyl)methoxy]ethyl)-4-(3-phenylpropyl)piperazine dihydrochloride
IUPAC Name: 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride | CAS Registry Number: 67469-78-7
Synonyms: Vanoxeamine, Vanoxerine, Prestwick_664, GBR 12909 dihydrochloride, D052_SIGMA, Gbr 12909, GBR-12909 dihydrochloride, GBR-12909, CID104920, I 893, I-893, NCGC00093862-01, LS-107633, EU-0100446, 1-(2 (Bis(4-fluorophenyl)methoxy)ethyl)-4-(3-phenylpropyl)piperazine di-hcl, Piperazine, 1-(2-(bis(4-fluorophenyl)methoxy)ethyl)-4-(3-phenylpropyl)-, dihydrochloride, 1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-phenylpropyl)piperazine dihydrochloride, 110872-73-6

Molecular Formula: C28H34Cl2F2N2OMolecular Weight: 523.485166 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: MIBSKSYCRFWIRU-UHFFFAOYSA-N

• 1h-Imidazole, 2-(2-Ethyl-2,3-Dihydro-2-Benzofuranyl)-4,5-Dihydro-, Monohydrochloride
IUPAC Name: 2-[(2R)-2-ethyl-3H-1-benzofuran-2-yl]-4,5-dihydro-1H-imidazol-3-ium | CAS Registry Number: 89197-00-2
Synonyms: ZINC01842775

Molecular Formula: C13H17N2O+Molecular Weight: 217.286880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: RATZLMXRALDSJW-CYBMUJFWSA-O

• 1-[4-[(2,3,3-Trichloro-1-oxo-2-propen-1-yl)amino]phenyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
IUPAC Name: ethyl 1-[4-(2,3,3-trichloroprop-2-enoylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate | CAS Registry Number: 1160514-60-2
Synonyms: Pyr3, CTK8E8091, Ethyl-1-(4-(2,3,3-trichloroacrylamide)phenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate

Molecular Formula: C16H11Cl3F3N3O3Molecular Weight: 456.631050 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: RZHGONNSASQOAY-UHFFFAOYSA-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

• 1 Phenyl 3 Methyl 5 Pyrazolone
IUPAC Name: 5-methyl-2-phenyl-4H-pyrazol-3-one | CAS Registry Number: 89-25-8
Synonyms: edaravone, Norphenazone, Radicut, Norantipyrine, Developer Z, edarabone, Methylphenylpyrazolone, Phenylmethylpyrazolone, C.I. Developer 1, CI Developer 1, Phenyl methyl pyrazolone, Radicut (TN), 1-Phenyl-3-methyl-5-pyrazolone, 1-Phenyl-3-methylpyrazolone, Spectrum_000267, Tocris-0786, MCI-186, Edaravone (JAN/INN), 3-Methyl-1-phenyl-5-pyrazolone, Maybridge1_005738

Molecular Formula: C10H10N2OMolecular Weight: 174.199200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QELUYTUMUWHWMC-UHFFFAOYSA-N

• 5-(1H-INDOL-3-YLMETHYL)-3-METHYL-2-THIOXO-4-IMIDAZOLIDINONE
IUPAC Name: 5-(1H-indol-3-ylmethyl)-3-methyl-2-sulfanylideneimidazolidin-4-one | CAS Registry Number: 4311-88-0
Synonyms: Necrostatin-1, MTH-DL-Tryptophan, MTH-trp, Nec-1, nchembio.83-comp1, nchembio711-1, methyl-thiohydantoin-tryptophan, Oprea1_645908, CBDivE_006695, Bio-0868, N9037_SIGMA, Necroptotic Inhibitor, Nec-1, methylthiohydantoin-DL-tryptophan, CHEBI:430803, MolPort-002-131-513, IN1207, CID2828334, NCGC00092372-01, NCGC00092372-02, 5-(Indol-3-ylmethyl)-(2-thio-3-methyl)hydantoin

Molecular Formula: C13H13N3OSMolecular Weight: 259.326820 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: TXUWMXQFNYDOEZ-UHFFFAOYSA-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

• 8-HYDROXY-2?-DEOXYGUANOSINE
IUPAC Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,7-dihydropurine-6,8-dione | CAS Registry Number: 88847-89-6
Synonyms: 8-Oxoguanosine, 8-Oxo-dG, 8-Hydroxydeoxyguanosine, 8-Oxo-2'-deoxyguanine, 8-Oxo-7-hydrodeoxyguanosine, 8-Oxo-deoxyguanosine, 8-Hydroxy-2'-deoxyguanosine, 8-Oxo-2'-deoxyguanosine, 2a5b, 8-OHdG, 2'-deoxy-8-hydroxyguanosine, nchembio.2007.40-comp1, 8-Oxo-7,8-dihydro-2'-deoxyguanosine, nchembio.2007.33-comp31, CCRIS 8239, 7,8-Dihydro-2'-deoxy-8-oxoguanosine, CHEBI:40304, MolPort-002-054-578, AIDS088698, AIDS-088698

Molecular Formula: C10H13N5O5Molecular Weight: 283.240720 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 7

InChIKey: HCAJQHYUCKICQH-VPENINKCSA-N

• 7,8-Dihydroxyflavone
IUPAC Name: 7,8-dihydroxy-2-phenylchromen-4-one | CAS Registry Number: 38183-03-8
Synonyms: 7,8-dihydroxyflavone, FLAVONE, 7,8-Dihydroxy-flavone, 7,8-diOH-Flavone, Spectrum_001087, Spectrum2_000952, Spectrum3_000213, Spectrum4_001823, Spectrum5_000585, BSPBio_001825, KBioGR_002491, KBioSS_001567, SPECTRUM201315, DivK1c_000371, SPBio_000944, MEGxp0_001683, EINECS 253-812-4, KBio1_000371, KBio2_001567, KBio2_004135

Molecular Formula: C15H10O4Molecular Weight: 254.237500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: COCYGNDCWFKTMF-UHFFFAOYSA-N

• 4-(3-Butoxy-4-methoxyphenyl)methyl-2-imidazolidone
IUPAC Name: 4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one | CAS Registry Number: 29925-17-5
Synonyms: Spectrum_001840, Spectrum3_001826, Lopac0_000204, BSPBio_001358, BSPBio_002560, BSPBio_003471, KBioGR_000078, KBioSS_000078, KBioSS_002345, MLS000859915, B8279_SIGMA, SPECTRUM2300287, RO 20-1724, BCBcMAP01_000185, KBio2_000078, KBio2_002342, KBio2_002646, KBio2_004910, KBio2_005214, KBio2_007478

Molecular Formula: C15H22N2O3Molecular Weight: 278.346780 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: PDMUULPVBYQBBK-UHFFFAOYSA-N

• (5E)-5-(4-ETHYLBENZYLIDENE)-2-MERCAPTO-1,3-THIAZOL-4(5H)-ONE
IUPAC Name: (5E)-5-[(4-ethylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | CAS Registry Number: 403811-55-2
Synonyms: c-Myc Inhibitor, Ambnee3018343, Ambcb5404711, MolPort-000-888-918, MolPort-002-114-791, ALBB-009118, ZINC01085341, ZINC02536881, ZINC12406714, CID1271002, NCGC00185994-01, 10058-F4, (Z,E)-5-(4-Ethylbenzylidine)-2-thioxothiazolidin-4-one, (5E)-5-(4-ethylbenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one

Molecular Formula: C12H11NOS2Molecular Weight: 249.351840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: SVXDHPADAXBMFB-JXMROGBWSA-N

• 2-AMINO-3-OXO-3H-PHENOXAZINE-1,9-DICARBOXYLIC ACID; CINNABARIC ACID
IUPAC Name: 2-amino-3-oxophenoxazine-1,9-dicarboxylic acid | CAS Registry Number: 606-59-7
Synonyms: Cinnavalininate, Cinnabarinic acid, MolPort-006-393-295, CID114918, C05640, 2-Amino-3H-phenoxazin-one-1,9-dicarboxylic acid, 2-Amino-3-oxo-3H-phenoxazin-1,9-dicarboxylic acid, 3H-Phenoxazin-1,9-dicarboxylic acid, 2-amino-3-oxo-

Molecular Formula: C14H8N2O6Molecular Weight: 300.223120 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: FSBKJYLVDRVPTK-UHFFFAOYSA-N

• 5-Dimethylaminonaphthalene-1-(n-(5-aminopentyl))-sulfonamide
IUPAC Name: N-(5-aminopentyl)-5-(dimethylamino)naphthalene-1-sulfonamide | CAS Registry Number: 10121-91-2
Synonyms: Dansylcadaverine, monodansylcadaverine, Monodansyl cadaverine, MONODANSYL-CADAVERINE, D4008_SIGMA, 30432_FLUKA, C17H25N3O2S, EINECS 233-326-9, AIDS017430, Bio1_000483, Bio1_000972, Bio1_001461, AIDS-017430, LS-171765, N-(5-Aminopentyl)-5-dimethylamino-1-naphthalenesulfonamide, C008542, N-(5-Aminopentyl)-5-(dimethylamino)naphthalene-1-sulphonamide, 1-Naphthalenesulfonamide, N-(5-aminopentyl)-5-(dimethylamino)-, N-(Dimethyl amino naphtha lene sulfonyl)-1,5-pentane diamine, N-(Dimethyl- amino- naphtha- lene- sulfonyl)-1,5-pentane- diamine

Molecular Formula: C17H25N3O2SMolecular Weight: 335.464300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: MLEBFEHOJICQQS-UHFFFAOYSA-N

• 3-Aminobenzamide
IUPAC Name: 3-aminobenzamide | CAS Registry Number: 3544-24-9
Synonyms: 3-aminobenzamide, m-Aminobenzamide, Benzamide, m-amino-, Benzamide, 3-amino-, 3-Aminobenzimide, meta-aminobenzamide, 3-AB cpd, Ambap3139, Spectrum_001492, Tocris-0788, Spectrum2_001577, Spectrum3_000972, Spectrum4_001096, Spectrum5_001459, Lopac-A-0788, UPCMLD-DP128, 3-AB, CCRIS 3925, 3-ABA, Lopac0_000043

Molecular Formula: C7H8N2OMolecular Weight: 136.151220 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: GSCPDZHWVNUUFI-UHFFFAOYSA-N


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