CFam Chemical Families Database
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You are searching for "CFAMM00015493" in compound.

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CFAM Mol ID CFAMM00015493
Family CFFAD69 u-type opioid receptor ligand opiate analog Buprenorphine Family
Superfamily CFSAD66 opioid receptor ligand opiate Codeine Buprenorphine Oxymorphone Superfamily
Class CFCAD66 Class 66
External ID CHEMBL48599 External Source CHEMBL
PubChem CID 44294713 Functional Category Bioactive
Molecule Name N-[(4aS,7aR)-7,9-dihydroxy-3-methyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a-yl]-2-bromoacetamide
IUPAC Name N-[(4aS,7aR)-7,9-dihydroxy-3-methyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a-yl]-2-bromoacetamide
Synonyms CHEBI:175827
InChi InChI=1S/C19H21BrN2O4/c1-22-7-6-18-15-10-2-3-11(23)16(15)26-17(18)12(24)4-5-19(18,13(22)8-10)21-14(25)9-20/h2-5,12-13,17,23-24H,6-9H2,1H3,(H,21,25)/t12?,13?,17-,18?,19+/m0/s1
InChiKey WPEIOODEGJJMDJ-BYJANHFVSA-N
Formula C19H21BrN2O4 Molecular Weight 421.29
Cross Link CHEMBL48599
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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