CFam Chemical Families Database
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You are searching for "CFAMM00442596" in compound.

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CFAM Mol ID CFAMM00442596
Family CFFBM17444 Insulin-like growth factor 1 receptor and Mitogen-activated protein kinase 8 ligand AGN-PC-050GPK family
Superfamily CFSBM908 Insulin-like growth factor 1 receptor and Tyrosine-protein kinase JAK2 Binder Superfamily
Class CFCCD161 Class 974
External ID CHEMBL465789 External Source CHEMBL
PubChem CID 25218592 Functional Category Bioactive
Molecule Name AGN-PC-050GPM
IUPAC Name 2-[[2-[[1-[3-(dimethylamino)propanoyl]-6-methoxy-3,4-dihydro-2H-quinolin-7-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-6-fluorobenzamide
Synonyms SureCN2206243;SureCN12430054;pyrrolo[2,3-d]pyrimidine deriv., 39;2-[[2-[[1-[3-(dimethylamino)propanoyl]-6-methoxy-3,4-dihydro-2H-quinolin-7-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-6-fluorobenzamide
InChi InChI=1S/C28H31FN8O3/c1-36(2)13-10-23(38)37-12-5-6-16-14-22(40-3)20(15-21(16)37)33-28-34-26-17(9-11-31-26)27(35-28)32-19-8-4-7-18(29)24(19)25(30)39/h4,7-9,11,14-15H,5-6,10,12-13H2,1-3H3,(H2,30,39)(H3,31,32,33,34,35)
InChiKey RLJRJTRUMLEXST-UHFFFAOYSA-N
Formula C28H31FN8O3 Molecular Weight 546.60
Cross Link CHEMBL465789
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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