CFam Chemical Families Database
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You are searching for "CFAMM00115253" in compound.

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CFAM Mol ID CFAMM00115253
Family CFFAD966 Nalfurafine Hcl family
Superfamily CFSAD816 Nalfurafine Hcl Superfamily
Class CFCAD66 Class 66
External ID CHEMBL53563 External Source CHEMBL
PubChem CID 44298081 Functional Category Bioactive
Molecule Name benzyl (E)-4-[[(4aS,7R)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl]amino]-4-oxobut-2-enoate
IUPAC Name benzyl (E)-4-[[(4aS,7R)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl]amino]-4-oxobut-2-enoate
Synonyms CHEBI:183691
InChi InChI=1S/C31H34N2O6/c34-23-9-8-21-16-24-31(37)13-12-22(32-25(35)10-11-26(36)38-18-20-4-2-1-3-5-20)29-30(31,27(21)28(23)39-29)14-15-33(24)17-19-6-7-19/h1-5,8-11,19,22,24,29,34,37H,6-7,12-18H2,(H,32,35)/b11-10+/t22-,24?,29?,30?,31-/m1/s1
InChiKey WFRPWLIRGBQZAG-VCCJEXIOSA-N
Formula C31H34N2O6 Molecular Weight 530.61
Cross Link CHEMBL53563
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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