CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00389483" in compound.

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CFAM Mol ID CFAMM00389483
Family CFFBM8646 Integrin beta-1 and Integrin alpha-4 inhibitor (4S)-4-[benzenesulfonyl(methyl)amino]-5-[[(1S)-1-carboxy-2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethyl]amino]-5-oxopentanoic acid family
Superfamily CFSBM3534 Integrin beta-1 and Integrin alpha-4 Binder Superfamily 3
Class CFCID1105 Class 2455
External ID CHEMBL338200 External Source CHEMBL
PubChem CID 44350598 Functional Category Bioactive
Molecule Name (2S)-2-[[2-[carboxymethyl-(4-fluorophenyl)sulfonylamino]acetyl]amino]-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoic acid
IUPAC Name (2S)-2-[[2-[carboxymethyl-(4-fluorophenyl)sulfonylamino]acetyl]amino]-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoic acid
Synonyms CHEBI:309545
InChi InChI=1S/C26H23Cl2FN2O8S/c27-21-2-1-3-22(28)20(21)15-39-18-8-4-16(5-9-18)12-23(26(35)36)30-24(32)13-31(14-25(33)34)40(37,38)19-10-6-17(29)7-11-19/h1-11,23H,12-15H2,(H,30,32)(H,33,34)(H,35,36)/t23-/m0/s1
Formula C26H23Cl2FN2O8S Molecular Weight 613.44
Cross Link CHEMBL338200

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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