CFam Chemical Families Database
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You are searching for "CFAMM00213786" in compound.

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CFAM Mol ID CFAMM00213786
Family CFFID574 Tumor necrosis factor Inhibitor Y-39041 Family
Superfamily CFSID468 Cytochrome P450 3A4 and Tumor necrosis factor Binder Superfamily
Class CFCAD719 Class 719
External ID DNC001521 External Source TTD
PubChem CID 10151575 Functional Category Investigative Drug
Molecule Name Y-39041
IUPAC Name (3R)-3-benzhydryloxy-1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine;hydrochloride
Synonyms DNC001521;Y-39041
InChi InChI=1S/C27H29NO3.ClH/c1-3-8-22(9-4-1)27(23-10-5-2-6-11-23)31-24-12-7-16-28(19-24)17-15-21-13-14-25-26(18-21)30-20-29-25;/h1-6,8-11,13-14,18,24,27H,7,12,15-17,19-20H2;1H/t24-;/m1./s1
InChiKey OUTBWXJALMTPND-GJFSDDNBSA-N
Formula C27H30ClNO3 Molecular Weight 451.99
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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