CFam Chemical Families Database
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You are searching for "CFAMM00417915" in compound.

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CFAM Mol ID CFAMM00417915
Family CFFBM12720 Integrin beta-1 and Integrin alpha-4 inhibitor 4-[[(2S,5S)-5-(ethoxymethyl)-1-[2-[7-fluoro-2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]pyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid family
Superfamily CFSBM276 Integrin alpha-4 and Cathepsin S Binder Superfamily
Class CFCAD678 Class 678
External ID CHEMBL572174 External Source CHEMBL
PubChem CID 44604821 Functional Category Bioactive
Molecule Name 4-[[(2S,4S)-4-fluoro-1-[2-[2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]pyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid
IUPAC Name 4-[[(2S,4S)-4-fluoro-1-[2-[2-(5-fluoro-2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]pyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid
Synonyms SureCN14592203
InChi InChI=1S/C28H31F2N3O5/c1-16-2-6-19(29)13-24(16)32-28-31-23-9-3-17(10-25(23)38-28)11-26(34)33-14-20(30)12-21(33)15-37-22-7-4-18(5-8-22)27(35)36/h2-3,6,9-10,13,18,20-22H,4-5,7-8,11-12,14-15H2,1H3,(H,31,32)(H,35,36)/t18-,20-,21-,22-/m0/s1
Formula C28H31F2N3O5 Molecular Weight 527.56
Cross Link CHEMBL572174

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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