CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00126323" 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 CFAMM00126323
Family CFFAD1104 Noradrenergic re-uptake and Opioid receptor Ligand Tapentadol Family
Superfamily CFSAD861 Opioid receptor ligand Tapentadol Superfamily
Class CFCAD62 Class 62
External ID CHEMBL217999 External Source CHEMBL
PubChem CID 16094369 Functional Category Bioactive
Molecule Name SureCN12168372
IUPAC Name 3-[(7R,8R,9aR)-7,8-dimethyl-2-[(4-methylphenyl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol
Synonyms CHEBI:464442
InChi InChI=1S/C24H32N2O/c1-18-7-9-20(10-8-18)16-25-11-12-26-15-19(2)24(3,14-22(26)17-25)21-5-4-6-23(27)13-21/h4-10,13,19,22,27H,11-12,14-17H2,1-3H3/t19-,22+,24+/m0/s1
InChiKey ZWDRGROQJMUOOH-BPUDTRNYSA-N
Formula C24H32N2O Molecular Weight 364.52
Cross Link CHEMBL217999
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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