CFam Chemical Families Database
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You are searching for "CFAMM00375985" in compound.

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CFAM Mol ID CFAMM00375985
Family CFFBM6943 Integrin beta-3 and Integrin alpha-IIb inhibitor (3R)-7-[(4-carbamimidoylbenzoyl)amino]-3-[3-(4-methoxyphenyl)propanoylamino]heptanoic acid family
Superfamily CFSBM3970 Trypsin-1 and Integrin beta-3 Binder Superfamily
Class CFCCD190 Class 1003
External ID CHEMBL341970 External Source CHEMBL
PubChem CID 10257580 Functional Category Bioactive
Molecule Name methyl (E)-2-[(3-carbamimidoylphenyl)methyl]-3-[[4-(3,4-dimethoxyphenyl)benzoyl]amino]-5-phenylpent-4-enoate
IUPAC Name methyl (E)-2-[(3-carbamimidoylphenyl)methyl]-3-[[4-(3,4-dimethoxyphenyl)benzoyl]amino]-5-phenylpent-4-enoate
Synonyms CHEBI:331348
InChi InChI=1S/C35H35N3O5/c1-41-31-19-17-27(22-32(31)42-2)25-13-15-26(16-14-25)34(39)38-30(18-12-23-8-5-4-6-9-23)29(35(40)43-3)21-24-10-7-11-28(20-24)33(36)37/h4-20,22,29-30H,21H2,1-3H3,(H3,36,37)(H,38,39)/b18-12+
InChiKey AAXSMTSTCQSEEA-LDADJPATSA-N
Formula C35H35N3O5 Molecular Weight 577.67
Cross Link CHEMBL341970
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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