CFam Chemical Families Database
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You are searching for "CFAMM00381285" in compound.

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CFAM Mol ID CFAMM00381285
Family CFFBM7566 Integrin beta-1 and Integrin alpha-4 inhibitor (2S)-2-[[1-(benzenesulfonyl)cyclohexanecarbonyl]amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid family
Superfamily CFSBM4135 Integrin beta-1 and Integrin alpha-4 Binder Superfamily 8
Class CFCAD590 Class 590
External ID CHEMBL420936 External Source CHEMBL
PubChem CID 10481891 Functional Category Bioactive
Molecule Name (2S)-2-[[amino-[(2S)-1-(benzenesulfonyl)azetidin-2-yl]methylidene]amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid
IUPAC Name (2S)-2-[[amino-[(2S)-1-(benzenesulfonyl)azetidin-2-yl]methylidene]amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid
Synonyms CHEBI:221075
InChi InChI=1S/C27H29N3O6S/c1-35-23-9-6-10-24(36-2)25(23)19-13-11-18(12-14-19)17-21(27(31)32)29-26(28)22-15-16-30(22)37(33,34)20-7-4-3-5-8-20/h3-14,21-22H,15-17H2,1-2H3,(H2,28,29)(H,31,32)/t21-,22-/m0/s1
Formula C27H29N3O6S Molecular Weight 523.60
Cross Link CHEMBL420936

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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National University of Singapore, Singapore

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