CFam Chemical Families Database
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You are searching for "CFAMM00312547" in compound.

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CFAM Mol ID CFAMM00312547
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 CHEMBL2062316 External Source CHEMBL
PubChem CID 71719036 Functional Category Bioactive
Molecule Name (3aR,6aS)-2-methyl-5-[6-(2-methylphenyl)pyridazin-3-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,3-dihydroxybutanedioic acid
IUPAC Name (3aR,6aS)-2-methyl-5-[6-(2-methylphenyl)pyridazin-3-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,3-dihydroxybutanedioic acid
Synonyms
InChi InChI=1S/C18H22N4.C4H6O6/c1-13-5-3-4-6-16(13)17-7-8-18(20-19-17)22-11-14-9-21(2)10-15(14)12-22;5-1(3(7)8)2(6)4(9)10/h3-8,14-15H,9-12H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t14-,15+;
InChiKey XVOLKMBXDHPVCO-KBGJBQQCSA-N
Formula C22H28N4O6 Molecular Weight 444.48
Cross Link CHEMBL2062316
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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