CFam Chemical Families Database
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You are searching for "CFAMM00450075" in compound.

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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 CFAMM00450075
Family CFFBM18968 C-C chemokine receptor type 5 ligand 5-[(3aR,6aS)-2-[2-[1-(4,4-difluorocyclohexanecarbonyl)-3-phenylazetidin-3-yl]ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4,6-dimethylpyridine-2-carbonitrile family
Superfamily CFSBM1359 Cannabinoid receptor 1 and C-C chemokine receptor type 5 Binder Superfamily
Class CFCAD173 Class 173
External ID CHEMBL593046 External Source CHEMBL
PubChem CID 46191232 Functional Category Bioactive
Molecule Name [3-[2-[(3aS,6aR)-5-[2,4-dimethyl-6-(trifluoromethyl)pyridine-3-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-3-phenylazetidin-1-yl]-(4,4-difluorocyclohexyl)methanone
IUPAC Name [3-[2-[(3aS,6aR)-5-[2,4-dimethyl-6-(trifluoromethyl)pyridine-3-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-3-phenylazetidin-1-yl]-(4,4-difluorocyclohexyl)methanone
Synonyms CHEBI:691551
InChi InChI=1S/C33H39F5N4O2/c1-21-14-27(33(36,37)38)39-22(2)28(21)30(44)41-17-24-15-40(16-25(24)18-41)13-12-31(26-6-4-3-5-7-26)19-42(20-31)29(43)23-8-10-32(34,35)11-9-23/h3-7,14,23-25H,8-13,15-20H2,1-2H3/t24-,25+
InChiKey KPURTNMKRQFRJT-PLQXJYEYSA-N
Formula C33H39F5N4O2 Molecular Weight 618.68
Cross Link CHEMBL593046
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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