CFam Chemical Families Database
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You are searching for "CFAMM00449751" in compound.

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CFAM Mol ID CFAMM00449751
Family CFFBM18920 Integrin beta-1 and Integrin alpha-5 inhibitor 2-[(2,6-dimethylbenzoyl)amino]-3-[4-[4-[(pyridin-2-ylamino)methyl]piperidin-1-yl]phenyl]propanoic acid family
Superfamily CFSBM1191 Integrin beta-1 and Integrin alpha-5 Binder Superfamily
Class CFCAD639 Class 639
External ID CHEMBL590354 External Source CHEMBL
PubChem CID 24872070 Functional Category Bioactive
Molecule Name SureCN4516020
IUPAC Name 2-[(2-ethyl-4-fluoro-6-methylbenzoyl)amino]-3-[4-[4-[(pyridin-2-ylamino)methyl]piperidin-1-yl]phenyl]propanoic acid
Synonyms AGN-PC-04T05S;2-[(2-ethyl-4-fluoro-6-methylbenzoyl)amino]-3-[4-[4-[(pyridin-2-ylamino)methyl]piperidin-1-yl]phenyl]propanoic acid
InChi InChI=1S/C30H35FN4O3/c1-3-23-18-24(31)16-20(2)28(23)29(36)34-26(30(37)38)17-21-7-9-25(10-8-21)35-14-11-22(12-15-35)19-33-27-6-4-5-13-32-27/h4-10,13,16,18,22,26H,3,11-12,14-15,17,19H2,1-2H3,(H,32,33)(H,34,36)(H,37,38)
InChiKey ZMCITDRAZLHOJT-UHFFFAOYSA-N
Formula C30H35FN4O3 Molecular Weight 518.62
Cross Link CHEMBL590354
Structure

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).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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