CFam Chemical Families Database
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You are searching for "CFAMM00159108" in compound.

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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 CFAMM00159108
Family CFFCD464 5-hydroxytryptamine receptor 1A and D(2) dopamine receptor Ligand PD-158771 Family
Superfamily CFSCD424 5-hydroxytryptamine receptor 1A and D(2) dopamine receptor Ligand PD-158771 Superfamily
Class CFCCD305 Class 1118
External ID CHEMBL1630618 External Source CHEMBL
PubChem CID 53321779 Functional Category Bioactive
Molecule Name AGN-PC-09QK0P
IUPAC Name 2-[4-[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)pyridin-2-yl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-2-yl]piperazin-1-yl]ethanol
Synonyms CHEBI:1152795;2-[4-[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)pyridin-2-yl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-2-yl]piperazin-1-yl]ethanol
InChi InChI=1S/C27H29F6N7O/c28-26(29,30)18-3-5-19(6-4-18)35-23-20-7-10-39(24-21(27(31,32)33)2-1-9-34-24)11-8-22(20)36-25(37-23)40-14-12-38(13-15-40)16-17-41/h1-6,9,41H,7-8,10-17H2,(H,35,36,37)
InChiKey DGBYTQSMHNWONG-UHFFFAOYSA-N
Formula C27H29F6N7O Molecular Weight 581.56
Cross Link CHEMBL1630618
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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