CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00159021" 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 CFAMM00159021
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 CHEMBL1630303 External Source CHEMBL
PubChem CID 53318736 Functional Category Bioactive
Molecule Name AGN-PC-09QI11
IUPAC Name 2-(4-cyclopentylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)pyridin-2-yl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
Synonyms CHEBI:1152382;2-(4-cyclopentylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)pyridin-2-yl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
InChi InChI=1S/C30H33F6N7/c31-29(32,33)20-7-9-21(10-8-20)38-26-23-11-14-42(27-24(30(34,35)36)6-3-13-37-27)15-12-25(23)39-28(40-26)43-18-16-41(17-19-43)22-4-1-2-5-22/h3,6-10,13,22H,1-2,4-5,11-12,14-19H2,(H,38,39,40)
Formula C30H33F6N7 Molecular Weight 605.62
Cross Link CHEMBL1630303

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).

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National University of Singapore, Singapore

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