CFam Chemical Families Database
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You are searching for "CFAMM00426936" in compound.

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CFAM Mol ID CFAMM00426936
Family CFFBM14193 Integrin beta-3 and Integrin alpha-V inhibitor 2-[1-[2-[[4-(1H-benzimidazol-2-ylamino)cyclohexyl]methylamino]-2-oxoethyl]-2-oxo-4H-3,1-benzoxazin-4-yl]acetic acid family
Superfamily CFSBM123 Pol polyprotein and Integrin beta-3 Binder Superfamily
Class CFCAD716 Class 716
External ID CHEMBL295927 External Source CHEMBL
PubChem CID 44291860 Functional Category Bioactive
Molecule Name (2S)-3-[4-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-5-methyl-2-oxopyrimidin-1-yl]-2-(phenylmethoxycarbonylamino)propanoic acid
IUPAC Name (2S)-3-[4-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-5-methyl-2-oxopyrimidin-1-yl]-2-(phenylmethoxycarbonylamino)propanoic acid
Synonyms CHEBI:169466
InChi InChI=1S/C29H32N6O5/c1-19-16-35(17-24(27(36)37)32-29(39)40-18-21-7-3-2-4-8-21)28(38)33-26(19)34-13-11-20(12-14-34)15-25-30-22-9-5-6-10-23(22)31-25/h2-10,16,20,24H,11-15,17-18H2,1H3,(H,30,31)(H,32,39)(H,36,37)/t24-/m0/s1
InChiKey SLJJPVPHANINPC-DEOSSOPVSA-N
Formula C29H32N6O5 Molecular Weight 544.60
Cross Link CHEMBL295927
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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