CFam Chemical Families Database
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You are searching for "CFAMM00414359" 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 CFAMM00414359
Family CFFBM12198 P2X purinoceptor 7 inhibitor SureCN8516206 family
Superfamily CFSAD439 Glutathione S-transferase Inhibitor Praziquantel Superfamily
Class CFCAD107 Class 107
External ID CHEMBL473973 External Source CHEMBL
PubChem CID 44565512 Functional Category Bioactive
Molecule Name 3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-3-methyl-N-[(1S,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]butanamide
IUPAC Name 3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-3-methyl-N-[(1S,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]butanamide
Synonyms CHEBI:559025
InChi InChI=1S/C22H27F3N4O2/c1-21(2,27-13-20(31)29-8-4-7-16(29)12-26)11-19(30)28-18-10-17(18)14-5-3-6-15(9-14)22(23,24)25/h3,5-6,9,16-18,27H,4,7-8,10-11,13H2,1-2H3,(H,28,30)/t16-,17+,18-/m0/s1
InChiKey PYKXLSJPWBEPRX-KSZLIROESA-N
Formula C22H27F3N4O2 Molecular Weight 436.47
Cross Link CHEMBL473973
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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