CFam Chemical Families Database
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You are searching for "CFAMM00013037" 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 CFAMM00013037
Family CFFAD65 D(2) dopamine receptor and D(1A) dopamine receptor ligand ergoline derivative Pergolide family
Superfamily CFSAD64 D(2) dopamine receptor and D(1A) dopamine receptor ligand ergoline derivative Pergolide Superfamily
Class CFCAD64 Class 64
External ID CHEMBL1762204 External Source CHEMBL
PubChem CID 54580424 Functional Category Bioactive
Molecule Name AGN-PC-0A9Q4B
IUPAC Name 5,7-difluoro-2,2-dimethyl-6-(3-methyl-1H-indol-7-yl)-N-propan-2-yloxy-3H-quinolin-4-amine
Synonyms CHEBI:1239494;5,7-difluoro-2,2-dimethyl-6-(3-methyl-1H-indol-7-yl)-N-propan-2-yloxy-3H-quinolin-4-amine
InChi InChI=1S/C23H25F2N3O/c1-12(2)29-28-18-10-23(4,5)27-17-9-16(24)19(21(25)20(17)18)15-8-6-7-14-13(3)11-26-22(14)15/h6-9,11-12,26-27H,10H2,1-5H3/b28-18+
InChiKey NLDACKJWSTTYSC-MTDXEUNCSA-N
Formula C23H25F2N3O Molecular Weight 397.46
Cross Link CHEMBL1762204
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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