CFam Chemical Families Database
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You are searching for "CFAMM00452022" in compound.

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CFAM Mol ID CFAMM00452022
Family CFFBM19488 Integrin beta-1 and Integrin alpha-4 inhibitor (2S)-2-[[(3S)-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]hexanoic acid family
Superfamily CFSBM512 Disintegrin and metalloproteinase domain-containing protein 17 and Interstitial collagenase Binder Superfamily
Class CFCBM198 Class 3248
External ID CHEMBL314729 External Source CHEMBL
PubChem CID 44324733 Functional Category Bioactive
Molecule Name (2S)-2-[[(3S)-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]pentanedioic acid
IUPAC Name (2S)-2-[[(3S)-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]pentanedioic acid
Synonyms CHEBI:248579
InChi InChI=1S/C23H26N2O9S/c1-33-19-9-7-16(12-20(19)34-2)35(31,32)25-13-15-6-4-3-5-14(15)11-18(25)22(28)24-17(23(29)30)8-10-21(26)27/h3-7,9,12,17-18H,8,10-11,13H2,1-2H3,(H,24,28)(H,26,27)(H,29,30)/t17-,18-/m0/s1
Formula C23H26N2O9S Molecular Weight 506.53
Cross Link CHEMBL314729

Statistics of CFAM Database

CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.

How to cite our database

C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).

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