CFam Chemical Families Database
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You are searching for "CFAMM00172148" in compound.

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CFAM Mol ID CFAMM00172148
Family CFFCD815 Zicronapine family
Superfamily CFSCD720 Zicronapine Superfamily
Class CFCCD511 Class 1324
External ID CHEMBL1788128 External Source CHEMBL
PubChem CID 54584762 Functional Category Bioactive
Molecule Name (Z)-but-2-enedioic acid;1-[2-[4-[5-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-diazinane-2-thione
IUPAC Name (Z)-but-2-enedioic acid;1-[2-[4-[5-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-diazinane-2-thione
Synonyms
InChi InChI=1S/C25H30ClFN4S.2C4H4O4/c26-19-4-7-21-23(16-19)22(18-2-5-20(27)6-3-18)17-24(21)30-13-10-29(11-14-30)12-15-31-9-1-8-28-25(31)32;2*5-3(6)1-2-4(7)8/h2-7,16,22,24H,1,8-15,17H2,(H,28,32);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
InChiKey QAJQZRXAYVGXPT-SPIKMXEPSA-N
Formula C33H38ClFN4O8S Molecular Weight 705.19
Cross Link CHEMBL1788128
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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