CFam Chemical Families Database
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You are searching for "CFAMM00443478" 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 CFAMM00443478
Family CFFBM17588 5-hydroxytryptamine receptor 1A and 5-hydroxytryptamine receptor 2A ligand AGN-PC-04XQY6 family
Superfamily CFSBM7108 5-hydroxytryptamine receptor 1A and 5-hydroxytryptamine receptor 2A Binder Superfamily 7
Class CFCBM1981 Class 5031
External ID ZINC59408813 External Source ZINC
PubChem CID 25424033 Functional Category Natural Product
Molecule Name (3S,3aS,5aS,9bS)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5a,9-dimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione
IUPAC Name (3S,3aS,5aS,9bS)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5a,9-dimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione
Synonyms
InChi InChI=1S/C26H32N2O4/c1-17-21(29)9-11-26(2)10-8-18-19(25(30)32-24(18)23(17)26)16-27-12-14-28(15-13-27)20-6-4-5-7-22(20)31-3/h4-7,9,11,18-19,24H,8,10,12-16H2,1-3H3/t18-,19+,24-,26-/m0/s1
InChiKey ZPFCKLJVWGPBDI-KQFQIQHFSA-N
Formula C26H32N2O4 Molecular Weight 436.54
Cross Link
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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