CFam Chemical Families Database
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You are searching for "CFAMM00308100" in compound.

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CFAM Mol ID CFAMM00308100
Family CFFBM150 Carbonic anhydrase 2 and Carbonic anhydrase 1 inhibitor 2-(2,6-diethyl-4-phenylpyridin-1-ium-1-yl)-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)acetamide;perchlorate family
Superfamily CFSBM94 Carbonic anhydrase 2 and Prelamin-A/C Binder Superfamily 2
Class CFCID348 Class 1698
External ID CHEMBL420105 External Source CHEMBL
PubChem CID 10722417 Functional Category Bioactive
Molecule Name 2-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)acetamide;perchlorate
IUPAC Name 2-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)acetamide;perchlorate
Synonyms CHEBI:267316
InChi InChI=1S/C26H28N4O3S2.ClHO4/c1-16(2)22-12-19(18-8-6-5-7-9-18)13-23(17(3)4)30(22)15-25(31)28-20-10-11-21-24(14-20)34-26(29-21)35(27,32)33;2-1(3,4)5/h5-14,16-17H,15H2,1-4H3,(H2-,27,28,31,32,33);(H,2,3,4,5)
InChiKey MPDOEEUDZFLCDL-UHFFFAOYSA-N
Formula C26H29N4O3S2.ClO4 Molecular Weight 609.11
Cross Link CHEMBL420105
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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