CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00015509" in compound.

Total 1 results found.

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 CFAMM00015509
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 57010319 External Source PubChem
PubChem CID 57010319 Functional Category Patent Compound
Molecule Name
IUPAC Name [2-[[(4R,4aR,7S,7aR,12bS)-9-hydroxy-7-[2-methylpropyl(3-phenylprop-2-ynoyl)amino]-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-3-yl]methyl]cyclopropyl] acetate
Synonyms
InChi InChI=1S/C35H40N2O5/c1-21(2)19-37(31(40)14-9-23-7-5-4-6-8-23)27-12-11-26-28-17-24-10-13-29(39)33-32(24)35(26,34(27)42-33)15-16-36(28)20-25-18-30(25)41-22(3)38/h4-8,10,13,21,25-28,30,34,39H,11-12,15-20H2,1-3H3/t25?,26-,27-,28+,30?,34-,35-/m0/s1
InChiKey LCWCXCFMSAFFLB-UMVXOFDTSA-N
Formula C35H40N2O5 Molecular Weight 568.70
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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