CFam Chemical Families Database
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You are searching for "CFAMM00559763" in compound.

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CFAM Mol ID CFAMM00559763
Family CFFNP1386 NP 3-((1-(3-(2-(pyridin-3-yl)piperidin-1-yl)prop-1-yn-1-yl)cyclohexyl)oxy)propanenitrile Family
Superfamily CFSNP439 NP 3-((1-(3-(2-(pyridin-3-yl)piperidin-1-yl)prop-1-yn-1-yl)cyclohexyl)oxy)propanenitrile and NP 2-methyl-5-(2-(pyridin-3-yl)piperidin-1-yl)pent-3-yn-2-yl Acetate Superfamily
Class CFCAD484 Class 484
External ID ZINC57547143 External Source ZINC
PubChem CID 1792502 Functional Category Natural Product
Molecule Name 3-((1-(3-(2-(pyridin-3-yl)piperidin-1-yl)prop-1-yn-1-yl)cyclohexyl)oxy)propanenitrile
IUPAC Name 3-[1-[3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]prop-1-ynyl]cyclohexyl]oxypropanenitrile
Synonyms ZINC57547143;3-[1-[3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]prop-1-ynyl]cyclohexyl]oxypropanenitrile
InChi InChI=1S/C22H29N3O/c23-14-8-18-26-22(11-3-1-4-12-22)13-7-17-25-16-5-2-10-21(25)20-9-6-15-24-19-20/h6,9,15,19,21H,1-5,8,10-12,16-18H2/t21-/m1/s1
InChiKey LVBPXZOJHUJMGA-OAQYLSRUSA-N
Formula C22H29N3O Molecular Weight 351.49
Cross Link
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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