CFam Chemical Families Database
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You are searching for "CFAMM00565672" 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 CFAMM00565672
Family CFFNP2311 NP 2-methyl-5-(2-(pyridin-3-yl)piperidin-1-yl)pent-3-yn-2-yl Acetate 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 ZINC61999398 External Source ZINC
PubChem CID 7070095 Functional Category Natural Product
Molecule Name AC1OF79M
IUPAC Name diethyl 2-[4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-ynyl]propanedioate
Synonyms ZINC61999398;diethyl 2-[4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-ynyl]propanedioate
InChi InChI=1S/C21H28N2O4/c1-3-26-20(24)18(21(25)27-4-2)11-5-7-14-23-15-8-6-12-19(23)17-10-9-13-22-16-17/h9-10,13,16,18-19H,3-4,6,8,11-12,14-15H2,1-2H3/t19-/m1/s1
InChiKey BJQPESVQPROFRD-LJQANCHMSA-N
Formula C21H28N2O4 Molecular Weight 372.46
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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