CFam Chemical Families Database
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You are searching for "CFAMM00553500" in compound.

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CFAM Mol ID CFAMM00553500
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 ZINC20411817 External Source ZINC
PubChem CID 28923540 Functional Category Natural Product
Molecule Name 3-[(2S)-butan-2-yl]-6-oxo-2-sulfanylidene-5-[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]pyrimidin-4-olate
IUPAC Name 3-[(2S)-butan-2-yl]-6-oxo-2-sulfanylidene-5-[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]pyrimidin-4-olate
InChi InChI=1S/C19H22N4O2S/c1-3-10(2)23-18(25)14(17(24)22-19(23)26)16-15-12(8-9-20-16)11-6-4-5-7-13(11)21-15/h4-7,10,16,20-21,25H,3,8-9H2,1-2H3,(H,22,24,26)/t10-,16-/m0/s1
Formula C19H22N4O2S Molecular Weight 370.47
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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).

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