CFam Chemical Families Database
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You are searching for "CFAMM00389469" in compound.

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CFAM Mol ID CFAMM00389469
Family CFFBM8644 Integrin beta-1 and Integrin alpha-4 inhibitor (2S)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonyl-2-methylpyrrolidine-2-carbonyl]amino]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid family
Superfamily CFSBM4594 Integrin beta-1 and Integrin alpha-4 Binder Superfamily 12
Class CFCID1105 Class 2455
External ID CHEMBL292619 External Source CHEMBL
PubChem CID 44299160 Functional Category Bioactive
Molecule Name (2S)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonyl-2-methylpyrrolidine-2-carbonyl]amino]-3-[4-[2,6-dimethoxy-4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]propanoic acid
IUPAC Name (2S)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonyl-2-methylpyrrolidine-2-carbonyl]amino]-3-[4-[2,6-dimethoxy-4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]propanoic acid
Synonyms CHEBI:186396
InChi InChI=1S/C34H39Cl2N3O7S/c1-34(11-6-14-39(34)47(43,44)27-19-25(35)18-26(36)20-27)33(42)37-28(32(40)41)15-22-7-9-24(10-8-22)31-29(45-2)16-23(17-30(31)46-3)21-38-12-4-5-13-38/h7-10,16-20,28H,4-6,11-15,21H2,1-3H3,(H,37,42)(H,40,41)/t28-,34-/m0/s1
Formula C34H39Cl2N3O7S Molecular Weight 704.66
Cross Link CHEMBL292619

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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