CFam Chemical Families Database
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You are searching for "CFAMM00558730" in compound.

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CFAM Mol ID CFAMM00558730
Family CFFNP1254 2,8-dimethyl-5-(2-nitrophenyl)sulfonyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-2-ium NP ZINC01764259 Family
Superfamily CFSBM6255 Corticosteroid 11-beta-dehydrogenase isozyme 1 inhibitor arylsulfonylpiperazine, 33 Superfamily
Class CFCBM1983 Class 5033
External ID ZINC04023399 External Source ZINC
PubChem CID 6560866 Functional Category Natural Product
Molecule Name AC1O6P3U
IUPAC Name (4aS,9bS)-2,8-dimethyl-5-(2-nitrophenyl)sulfonyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-2-ium
Synonyms ZINC04023399;(4aS,9bS)-2,8-dimethyl-5-(2-nitrophenyl)sulfonyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-2-ium
InChi InChI=1S/C19H21N3O4S/c1-13-7-8-16-14(11-13)15-12-20(2)10-9-17(15)21(16)27(25,26)19-6-4-3-5-18(19)22(23)24/h3-8,11,15,17H,9-10,12H2,1-2H3/p+1/t15-,17+/m1/s1
InChiKey QTUOGDWWOJNWCL-WBVHZDCISA-O
Formula C19H22N3O4S+ Molecular Weight 388.46
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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Professor in Department of Pharmacy
National University of Singapore, Singapore


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