CFam Chemical Families Database
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You are searching for "CFAMM00011335" 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 CFAMM00011335
Family CFFAD60 5-hydroxytryptamine receptor 1B and 5-hydroxytryptamine receptor 1D ligand triptan analog Frovatriptan family
Superfamily CFSAD59 5-hydroxytryptamine receptor 1B and 5-hydroxytryptamine receptor 1D ligand triptan analog Frovatriptan Superfamily
Class CFCAD59 Class 59
External ID CHEMBL189101 External Source CHEMBL
PubChem CID 44398930 Functional Category Bioactive
Molecule Name AGN-PC-075IAY
IUPAC Name [4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(7-methyl-1H-indol-3-yl)methanone;2,2,2-trifluoroacetic acid
Synonyms CHEBI:418582;[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(7-methyl-1H-indol-3-yl)methanone;2,2,2-trifluoroacetic acid
InChi InChI=1S/C22H25N3O.C2HF3O2/c1-15-4-2-7-19-20(14-24-21(15)19)22(26)25-10-8-17(9-11-25)18-6-3-5-16(12-18)13-23;3-2(4,5)1(6)7/h2-7,12,14,17,24H,8-11,13,23H2,1H3;(H,6,7)
InChiKey MPMGIMBAAJSKFG-UHFFFAOYSA-N
Formula C22H25N3O.C2HF3O2 Molecular Weight 461.48
Cross Link CHEMBL189101
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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