CFam Chemical Families Database
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You are searching for "CFAMM00522558" in compound.

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CFAM Mol ID CFAMM00522558
Family CFFBM43824 Vesicular acetylcholine transporter and Sigma non-opioid intracellular receptor 1 ligand [1-[(3R,4R)-3-hydroxy-1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]-(4-methoxyphenyl)methanone;oxalic acid family
Superfamily CFSBM4571 Vesicular acetylcholine transporter and Sigma non-opioid intracellular receptor 1 Binder Superfamily 3
Class CFCBM1602 Class 4652
External ID CHEMBL2047239 External Source CHEMBL
PubChem CID 70684071 Functional Category Bioactive
Molecule Name [1-[(3R,4R)-3-hydroxy-1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]-(4-methoxyphenyl)methanone;oxalic acid
IUPAC Name [1-[(3R,4R)-3-hydroxy-1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]-(4-methoxyphenyl)methanone;oxalic acid
Synonyms
InChi InChI=1S/C23H28N2O4S.C2H2O4/c1-29-18-6-4-16(5-7-18)22(27)17-8-11-24(12-9-17)19-10-13-25(15-20(19)26)23(28)21-3-2-14-30-21;3-1(4)2(5)6/h2-7,14,17,19-20,26H,8-13,15H2,1H3;(H,3,4)(H,5,6)/t19-,20-;/m1./s1
InChiKey CVITYAJOWNFZMN-GZJHNZOKSA-N
Formula C25H30N2O8S Molecular Weight 518.58
Cross Link CHEMBL2047239
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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