CFam Chemical Families Database
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You are searching for "CFAMM00254060" 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 CFAMM00254060
Family CFFID1906 D(2) dopamine receptor and D(3) dopamine receptor Ligand A-706149 Family
Superfamily CFSCD151 Mitogen-activated protein kinase 12 Inhibitor VX-702 Superfamily
Class CFCCD11 Class 824
External ID DNC006150 External Source TTD
PubChem CID 11237664 Functional Category Investigative Drug
Molecule Name A-706149
IUPAC Name 1-[4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]-3,4-dihydro-1-benzazepine-2,5-dione
Synonyms SureCN3290844;AGN-PC-0050DA;CHEMBL201232;CHEBI:438202;DNC006150;1-[4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]-3,4-dihydro-1-benzazepine-2,5-dione
InChi InChI=1S/C27H34F3N5O2/c1-26(2,3)25-31-22(27(28,29)30)18-23(32-25)34-16-14-33(15-17-34)12-6-7-13-35-20-9-5-4-8-19(20)21(36)10-11-24(35)37/h4-5,8-9,18H,6-7,10-17H2,1-3H3
InChiKey FKHBHNWGBJHKGW-UHFFFAOYSA-N
Formula C27H34F3N5O2 Molecular Weight 517.59
Cross Link CHEMBL201232
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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