CFam Chemical Families Database
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You are searching for "CFAMM00278018" in compound.

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CFAM Mol ID CFAMM00278018
Family CFFID2860 Integrin alpha-V Inhibitor C[rgdf-(3s)-carboxymorpholine] Family
Superfamily CFSID192 Integrin alpha-V and Integrin beta-3 Binder Superfamily
Class CFCAD260 Class 260
External ID DNC009677 External Source TTD
PubChem CID 44123805 Functional Category Investigative Drug
Molecule Name c[RGDf-(3R)-Carboxymorpholine]
IUPAC Name 2-[(3R,6S,12S,15R)-3-benzyl-12-[3-(diaminomethylideneamino)propyl]-2,5,8,11,14-pentaoxo-17-oxa-1,4,7,10,13-pentazabicyclo[13.4.0]nonadecan-6-yl]acetic acid
Synonyms c[RGDf-(3R)-Carboxymorpholine];CHEBI:618654;DNC009677
InChi InChI=1S/C26H36N8O8/c27-26(28)29-8-4-7-16-22(38)30-13-20(35)31-17(12-21(36)37)23(39)33-18(11-15-5-2-1-3-6-15)25(41)34-9-10-42-14-19(34)24(40)32-16/h1-3,5-6,16-19H,4,7-14H2,(H,30,38)(H,31,35)(H,32,40)(H,33,39)(H,36,37)(H4,27,28,29)/t16-,17-,18+,19+/m0/s1
InChiKey HKLGBIAIHDSNGD-INDMIFKZSA-N
Formula C26H36N8O8 Molecular Weight 588.61
Cross Link CHEMBL443362
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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