CFam Chemical Families Database
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You are searching for "CFAMM00227466" in compound.

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CFAM Mol ID CFAMM00227466
Family CFFID1097 Integrin alpha-V and Integrin beta-3 Inhibitor Cyclo-[-arg-gly-asp-amp26-] Family
Superfamily CFSID192 Integrin alpha-V and Integrin beta-3 Binder Superfamily
Class CFCAD260 Class 260
External ID DNC008321 External Source TTD
PubChem CID 24822444 Functional Category Investigative Drug
Molecule Name cyclo-[-Arg-Gly-Asp-Amp26-]
IUPAC Name 2-[(1R,4S,10S,13S)-14-benzoyl-10-[3-(diaminomethylideneamino)propyl]-3,6,9,12-tetraoxo-2,5,8,11,14-pentazabicyclo[11.2.1]hexadecan-4-yl]acetic acid
Synonyms cyclo-[-Arg-Gly-Asp-Amp26-];DNC008321
InChi InChI=1S/C24H32N8O7/c25-24(26)27-8-4-7-15-20(36)28-11-18(33)30-16(10-19(34)35)21(37)29-14-9-17(22(38)31-15)32(12-14)23(39)13-5-2-1-3-6-13/h1-3,5-6,14-17H,4,7-12H2,(H,28,36)(H,29,37)(H,30,33)(H,31,38)(H,34,35)(H4,25,26,27)/t14-,15+,16+,17+/m1/s1
InChiKey UIBGFNHGJUQMPO-QZWWFDLISA-N
Formula C24H32N8O7 Molecular Weight 544.56
Cross Link CHEMBL406680
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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