CFam Chemical Families Database
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You are searching for "CFAMM00002056" 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 CFAMM00002056
Family CFFAD10 5-hydroxytryptamine receptor 2C ligand Tetracyclic antidepressant Mirtazapine Family
Superfamily CFSAD10 5-hydroxytryptamine receptor 2C ligand Tetracyclic antidepressant Mirtazapine Superfamily
Class CFCAD10 Class 10
External ID CHEMBL497051 External Source CHEMBL
PubChem CID 44592604 Functional Category Bioactive
Molecule Name (3aS,6aR)-5-(5-phenylpyridin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid
IUPAC Name (3aS,6aR)-5-(5-phenylpyridin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid
Synonyms CHEBI:622405
InChi InChI=1S/C17H19N3.C2HF3O2/c1-2-4-13(5-3-1)14-6-7-17(19-10-14)20-11-15-8-18-9-16(15)12-20;3-2(4,5)1(6)7/h1-7,10,15-16,18H,8-9,11-12H2;(H,6,7)/t15-,16+;
InChiKey NMKDIOUDWUZSTM-FAESNJTISA-N
Formula C19H20F3N3O2 Molecular Weight 379.38
Cross Link CHEMBL497051
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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