CFam Chemical Families Database
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You are searching for "CFAMM00010991" in compound.

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CFAM Mol ID CFAMM00010991
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 ZINC04410642 External Source ZINC
PubChem CID 648697 Functional Category Natural Product
Molecule Name 1-(3,4-dihydro-1H-pyrido[4,3-b]indol-2(5H)-yl)ethanone
IUPAC Name 1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
Synonyms 312505-10-5;1-{1H,2H,3H,4H,5H-pyrido[4,3-b]indol-2-yl}ethan-1-one;1-(1H,2H,3H,4H,5H-PYRIDO[4,3-B]INDOL-2-YL)ETHAN-1-ONE;BAS 01505805;AC1LDIO2;Oprea1_317492;Oprea1_655588;MLS000026975;CHEMBL1526788;STOCK1N-72753
InChi InChI=1S/C13H14N2O/c1-9(16)15-7-6-13-11(8-15)10-4-2-3-5-12(10)14-13/h2-5,14H,6-8H2,1H3
InChiKey AHJHXLBVCPEERJ-UHFFFAOYSA-N
Formula C13H14N2O Molecular Weight 214.26
Cross Link CHEMBL1526788
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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