CFam Chemical Families Database
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You are searching for "CFAMM00312538" 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 CFAMM00312538
Family CFFBM512 Neuronal acetylcholine receptor subunit alpha-7 and Neuronal acetylcholine receptor subunit alpha-4 ligand SureCN4109510 family
Superfamily CFSBM314 Metabotropic glutamate receptor 5 and Neuronal acetylcholine receptor subunit alpha-4 Binder Superfamily
Class CFCBM124 Class 3174
External ID CHEMBL498262 External Source CHEMBL
PubChem CID 44592634 Functional Category Bioactive
Molecule Name (3aS,6aR)-2-ethyl-5-(6-phenylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;4-methylbenzenesulfonic acid
IUPAC Name (3aS,6aR)-2-ethyl-5-(6-phenylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;4-methylbenzenesulfonic acid
Synonyms CHEBI:622473
InChi InChI=1S/C18H22N4.C7H8O3S/c1-2-21-10-15-12-22(13-16(15)11-21)18-9-8-17(19-20-18)14-6-4-3-5-7-14;1-6-2-4-7(5-3-6)11(8,9)10/h3-9,15-16H,2,10-13H2,1H3;2-5H,1H3,(H,8,9,10)/t15-,16+;
InChiKey UEDZYDRVYUUPIE-FAESNJTISA-N
Formula C25H30N4O3S Molecular Weight 466.60
Cross Link CHEMBL498262
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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