CFam Chemical Families Database
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You are searching for "CFAMM00334512" in compound.

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CFAM Mol ID CFAMM00334512
Family CFFBM2470 Cannabinoid receptor 2 ligand 1,1,1-trifluoro-N-[(2S)-6-(1-pyridin-2-ylsulfonylindol-2-yl)sulfonyl-6-azaspiro[2.5]octan-2-yl]methanesulfonamide family
Superfamily CFSBM1356 Corticosteroid 11-beta-dehydrogenase isozyme 1 and Cannabinoid receptor 2 Binder Superfamily
Class CFCBM515 Class 3565
External ID CHEMBL1270987 External Source CHEMBL
PubChem CID 11585047 Functional Category Bioactive
Molecule Name 1,1,1-trifluoro-N-[(2S)-6-(1-pyridin-2-ylsulfonylindol-2-yl)sulfonyl-6-azaspiro[2.5]octan-2-yl]methanesulfonamide
IUPAC Name 1,1,1-trifluoro-N-[(2S)-6-(1-pyridin-2-ylsulfonylindol-2-yl)sulfonyl-6-azaspiro[2.5]octan-2-yl]methanesulfonamide
Synonyms CHEBI:810235
InChi InChI=1S/C21H21F3N4O6S3/c22-21(23,24)37(33,34)26-17-14-20(17)8-11-27(12-9-20)36(31,32)19-13-15-5-1-2-6-16(15)28(19)35(29,30)18-7-3-4-10-25-18/h1-7,10,13,17,26H,8-9,11-12,14H2/t17-/m0/s1
InChiKey KMSXGMMRQVOHME-KRWDZBQOSA-N
Formula C21H21F3N4O6S3 Molecular Weight 578.60
Cross Link CHEMBL1270987
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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