CFam Chemical Families Database
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You are searching for "CFAMM00553493" in compound.

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CFAM Mol ID CFAMM00553493
Family CFFNP704 NP 6-hydroxy-5-(2,3,4,9-tetrahydro-1h-pyrido[3,4-b]indol-1-yl)pyrimidine-2,4(1h,3h)-dione Family
Superfamily CFSNP243 2-sulfanylidene-5-[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]pyrimidine-4,6-diolate NP ZINC18213475 Superfamily
Class CFCAD173 Class 173
External ID ZINC20411154 External Source ZINC
PubChem CID 28923432 Functional Category Natural Product
Molecule Name 1,3-dimethyl-6-oxo-2-sulfanylidene-5-[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]pyrimidin-4-olate
IUPAC Name 1,3-dimethyl-6-oxo-2-sulfanylidene-5-[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]pyrimidin-4-olate
Synonyms
InChi InChI=1S/C17H18N4O2S/c1-20-15(22)12(16(23)21(2)17(20)24)14-13-10(7-8-18-14)9-5-3-4-6-11(9)19-13/h3-6,14,18-19,22H,7-8H2,1-2H3/t14-/m1/s1
InChiKey YLYASIIZEVKKDL-CQSZACIVSA-N
Formula C17H18N4O2S Molecular Weight 342.42
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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