CFAM Mol ID	CFAMM00011631
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	CHEMBL448026	External Source	CHEMBL
PubChem CID	25187397	Functional Category	Bioactive
Molecule Name	(2S)-6-amino-N-benzyl-2-[(4R)-3-oxo-4-(3-phenylpropanoylamino)-1,4,5,10-tetrahydroazepino[3,4-b]indol-2-yl]hexanamide;2,2,2-trifluoroacetic acid
IUPAC Name	(2S)-6-amino-N-benzyl-2-[(4R)-3-oxo-4-(3-phenylpropanoylamino)-1,4,5,10-tetrahydroazepino[3,4-b]indol-2-yl]hexanamide;2,2,2-trifluoroacetic acid
Synonyms	CHEBI:572186
InChi	InChI=1S/C34H39N5O3.C2HF3O2/c35-20-10-9-17-31(33(41)36-22-25-13-5-2-6-14-25)39-23-30-27(26-15-7-8-16-28(26)37-30)21-29(34(39)42)38-32(40)19-18-24-11-3-1-4-12-24;3-2(4,5)1(6)7/h1-8,11-16,29,31,37H,9-10,17-23,35H2,(H,36,41)(H,38,40);(H,6,7)/t29-,31+;/m1./s1
InChiKey	DINKFNGXYXCXET-CFPLTKAMSA-N
Formula	C36H40F3N5O5	Molecular Weight	679.73
Cross Link	CHEMBL448026
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

27295 visits since 2014 .........

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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