CFam Chemical Families Database
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You are searching for "CFAMM00015961" in compound.

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CFAM Mol ID CFAMM00015961
Family CFFAD72 5-hydroxytryptamine receptor 1B and 5-hydroxytryptamine receptor 1D ligand triptan analog Zolmitriptan family
Superfamily CFSAD70 5-hydroxytryptamine receptor 1B and 5-hydroxytryptamine receptor 1D ligand triptan analog Zolmitriptan Superfamily
Class CFCAD70 Class 70
External ID CHEMBL352181 External Source CHEMBL
PubChem CID 44376272 Functional Category Bioactive
Molecule Name N-[4-[3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]benzenecarbothioamide
IUPAC Name N-[4-[3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]benzenecarbothioamide
Synonyms AGN-PC-0754C9;CHEBI:370824;N-[4-[3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]benzenecarbothioamide
InChi InChI=1S/C26H30N4S/c31-26(21-6-2-1-3-7-21)28-30-16-11-20(12-17-30)22-8-9-25-24(18-22)23(19-27-25)10-15-29-13-4-5-14-29/h1-3,6-9,11,18-19,27H,4-5,10,12-17H2,(H,28,31)
InChiKey ACAQTMICMMVXHA-UHFFFAOYSA-N
Formula C26H30N4S Molecular Weight 430.61
Cross Link CHEMBL352181
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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