CFam Chemical Families Database
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You are searching for "CFAMM00314797" 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 CFAMM00314797
Family CFFBM733 Mu-type opioid receptor and Mu-type opioid receptor ligand SureCN13500641 family
Superfamily CFSBM433 Mu-type opioid receptor and Survival motor neuron protein Binder Superfamily
Class CFCID1407 Class 2757
External ID CHEMBL554148 External Source CHEMBL
PubChem CID 45272095 Functional Category Bioactive
Molecule Name AGN-PC-07C6C4
IUPAC Name 1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[3-[5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]urea
Synonyms CHEBI:664735;1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[3-[5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]urea
InChi InChI=1S/C33H28F4N6O2/c1-42-11-13-43(14-12-42)31(44)21-7-5-20(6-8-21)23-16-26-27(19-39-30(26)38-18-23)22-3-2-4-25(15-22)40-32(45)41-29-10-9-24(17-28(29)34)33(35,36)37/h2-10,15-19H,11-14H2,1H3,(H,38,39)(H2,40,41,45)
InChiKey CKTFVJVJZBGKNW-UHFFFAOYSA-N
Formula C33H28F4N6O2 Molecular Weight 616.61
Cross Link CHEMBL554148
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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