CFam Chemical Families Database
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You are searching for "CFAMM00031749" in compound.

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CFAM Mol ID CFAMM00031749
Family CFFAD184 DNA Binder Primaquine Family
Superfamily CFSAD172 DNA Binder Primaquine Superfamily
Class CFCAD24 Class 24
External ID ZINC08382913 External Source ZINC
PubChem CID 1799447 Functional Category Natural Product
Molecule Name 1-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-3-methylthiourea
IUPAC Name 1-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-3-methylthiourea
Synonyms 1-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-3-methylthiourea;ZINC08382913;AC1LXDCQ;STOCK1N-37435;MolPort-000-816-664;AKOS003368104;MCULE-5659779126;AO-080/43342659;N-{2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl}-N'-methylthiourea
InChi InChI=1S/C22H25N3O4S/c1-23-22(30)25-16-12-21(29-5)19(27-3)10-14(16)8-17-15-11-20(28-4)18(26-2)9-13(15)6-7-24-17/h6-7,9-12H,8H2,1-5H3,(H2,23,25,30)
InChiKey UTFCTLVGLGNVJS-UHFFFAOYSA-N
Formula C22H25N3O4S Molecular Weight 427.52
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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