CFam Chemical Families Database
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You are searching for "CFAMM00233880" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00233880
Family CFFID1268 Integrin alpha-V and Integrin beta-3 Inhibitor SB-223245 Family
Superfamily CFSCD540 BIBT986 Superfamily
Class CFCAD716 Class 716
External ID CHEMBL419180 External Source CHEMBL
PubChem CID 44337919 Functional Category Bioactive
Molecule Name 2-[(2S)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-4-benzyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid
IUPAC Name 2-[(2S)-7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-4-benzyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid
Synonyms CHEBI:277769
InChi InChI=1S/C28H27N5O4/c1-32(17-25-30-22-9-5-6-10-23(22)31-25)27(36)19-11-12-21-20(13-19)16-33(15-18-7-3-2-4-8-18)28(37)24(29-21)14-26(34)35/h2-13,24,29H,14-17H2,1H3,(H,30,31)(H,34,35)/t24-/m0/s1
InChiKey XJIREEHRSUICRY-DEOSSOPVSA-N
Formula C28H27N5O4 Molecular Weight 497.55
Cross Link CHEMBL419180
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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