CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00398238" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00398238
Family CFFBM9828 Dipeptidyl peptidase 4 and Dipeptidyl peptidase 8 inhibitor thiazolopiperidine 76 family
Superfamily CFSID1979 Muscarinic acetylcholine receptor M4 and Transient receptor potential cation channel subfamily V member 1 Binder Superfamily
Class CFCID1186 Class 2536
External ID CHEMBL196881 External Source CHEMBL
PubChem CID 9983092 Functional Category Bioactive
Molecule Name thiazolopiperidine 76
IUPAC Name (3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(4-methylsulfonylphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butan-1-one
Synonyms SureCN8312000
InChi InChI=1S/C23H23F2N3O3S2/c1-33(30,31)18-5-2-14(3-6-18)23-27-20-13-28(9-8-21(20)32-23)22(29)12-17(26)11-15-10-16(24)4-7-19(15)25/h2-7,10,17H,8-9,11-13,26H2,1H3/t17-/m1/s1
InChiKey QHCYILPLUYIKNG-QGZVFWFLSA-N
Formula C23H23F2N3O3S2 Molecular Weight 491.57
Cross Link CHEMBL196881
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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