CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00233859" 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 CFAMM00233859
Family CFFID1268 Integrin alpha-V and Integrin beta-3 Inhibitor SB-223245 Family
Superfamily CFSCD540 BIBT986 Superfamily
Class CFCAD716 Class 716
External ID CHEMBL327112 External Source CHEMBL
PubChem CID 44337824 Functional Category Bioactive
Molecule Name SureCN8329503
IUPAC Name 2-[(2S)-4-methyl-7-[methyl-[(4-nitro-1H-benzimidazol-2-yl)methyl]carbamoyl]-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid
Synonyms SureCN8329524;CHEBI:277556
InChi InChI=1S/C22H22N6O6/c1-26-10-13-8-12(6-7-14(13)23-16(22(26)32)9-19(29)30)21(31)27(2)11-18-24-15-4-3-5-17(28(33)34)20(15)25-18/h3-8,16,23H,9-11H2,1-2H3,(H,24,25)(H,29,30)/t16-/m0/s1
InChiKey NJVVLFTVLHGRKR-INIZCTEOSA-N
Formula C22H22N6O6 Molecular Weight 466.45
Cross Link CHEMBL327112
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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