CFam Chemical Families Database
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You are searching for "CFAMM00227447" in compound.

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CFAM Mol ID CFAMM00227447
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 CHEMBL426408 External Source CHEMBL
PubChem CID 44386298 Functional Category Bioactive
Molecule Name 2-[(5S,11S,14R)-19-(6-aminohexanoylamino)-11-[3-(diaminomethylideneamino)propyl]-12-methyl-4,7,10,13,16-pentaoxo-14-propan-2-yl-3,6,9,12,15-pentazabicyclo[15.3.1]henicosa-1(21),17,19-trien-5-yl]acetic acid;2,2,2-trifluoroacetic acid
IUPAC Name 2-[(5S,11S,14R)-19-(6-aminohexanoylamino)-11-[3-(diaminomethylideneamino)propyl]-12-methyl-4,7,10,13,16-pentaoxo-14-propan-2-yl-3,6,9,12,15-pentazabicyclo[15.3.1]henicosa-1(21),17,19-trien-5-yl]acetic acid;2,2,2-trifluoroacetic acid
Synonyms CHEBI:393655
InChi InChI=1S/C32H50N10O8.2C2HF3O2/c1-18(2)27-31(50)42(3)23(8-7-11-36-32(34)35)30(49)38-17-25(44)40-22(15-26(45)46)29(48)37-16-19-12-20(28(47)41-27)14-21(13-19)39-24(43)9-5-4-6-10-33;2*3-2(4,5)1(6)7/h12-14,18,22-23,27H,4-11,15-17,33H2,1-3H3,(H,37,48)(H,38,49)(H,39,43)(H,40,44)(H,41,47)(H,45,46)(H4,34,35,36);2*(H,6,7)/t22-,23-,27+;;/m0../s1
InChiKey GPKMDDOTRJJZSK-WRMGOHSWSA-N
Formula C32H50N10O8.2C2HF3O2 Molecular Weight 930.85
Cross Link CHEMBL426408
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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