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You are searching for "CFAMM00011631" in compound. Total 1 results found.
Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.
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 |
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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).
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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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