CFam Chemical Families Database
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You are searching for "CFAMM00235975" in compound.

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CFAM Mol ID CFAMM00235975
Family CFFID1334 Acetylcholinesterase and Cholinesterase Inhibitor N,n'-(1',10'-decylene)-bis-(-)-nor-mep Family
Superfamily CFSAD861 Opioid receptor ligand Tapentadol Superfamily
Class CFCAD62 Class 62
External ID DNC008435 External Source TTD
PubChem CID 24827759 Functional Category Investigative Drug
Molecule Name N,N'-(1',10'-decylene)-bis-(-)-nor-MEP
IUPAC Name 3-[(3S)-3-ethyl-1-[10-[(3S)-3-ethyl-3-(3-hydroxyphenyl)azepan-1-yl]decyl]azepan-3-yl]phenol
Synonyms DNC008435;N,N'-(1',10'-decylene)-bis-(-)-nor-MEP
InChi InChI=1S/C38H60N2O2/c1-3-37(33-19-17-21-35(41)29-33)23-11-15-27-39(31-37)25-13-9-7-5-6-8-10-14-26-40-28-16-12-24-38(4-2,32-40)34-20-18-22-36(42)30-34/h17-22,29-30,41-42H,3-16,23-28,31-32H2,1-2H3/t37-,38-/m1/s1
InChiKey PCOSLLZEMYSIRZ-XPSQVAKYSA-N
Formula C38H60N2O2 Molecular Weight 576.90
Cross Link CHEMBL259523
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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