CFam Chemical Families Database
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You are searching for "CFAMM00233884" 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 CFAMM00233884
Family CFFID1268 Integrin alpha-V and Integrin beta-3 Inhibitor SB-223245 Family
Superfamily CFSCD540 BIBT986 Superfamily
Class CFCAD716 Class 716
External ID CHEMBL53987 External Source CHEMBL
PubChem CID 15491369 Functional Category Bioactive
Molecule Name 2-[(2S)-4-methyl-7-[2-[(6-methylpyridin-2-yl)amino]ethylcarbamoyl]-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid
IUPAC Name 2-[(2S)-4-methyl-7-[2-[(6-methylpyridin-2-yl)amino]ethylcarbamoyl]-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid
Synonyms CHEBI:178731
InChi InChI=1S/C21H25N5O4/c1-13-4-3-5-18(24-13)22-8-9-23-20(29)14-6-7-16-15(10-14)12-26(2)21(30)17(25-16)11-19(27)28/h3-7,10,17,25H,8-9,11-12H2,1-2H3,(H,22,24)(H,23,29)(H,27,28)/t17-/m0/s1
InChiKey QCUWGXMOSCSKEM-KRWDZBQOSA-N
Formula C21H25N5O4 Molecular Weight 411.45
Cross Link CHEMBL53987
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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