CFam Chemical Families Database
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You are searching for "CFAMM00291045" 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 CFAMM00291045
Family CFFID3426 Kappa-type opioid receptor and Mu-type opioid receptor Ligand U-69593 Family
Superfamily CFSID2367 Kappa-type opioid receptor and Mu-type opioid receptor Ligand U-69593 Superfamily
Class CFCID1417 Class 2767
External ID CHEMBL166551 External Source CHEMBL
PubChem CID 6093340 Functional Category Bioactive
Molecule Name NCGC00162369-02
IUPAC Name 2-(3,4-dichlorophenyl)-N-methyl-N-[(5S,7R,8R)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide
Synonyms AC1O1BQ0;SureCN7995889;Lopac0_001226;CHEBI:380372;CCG-205300;NCGC00162369-01;NCGC00162369-03;2-(3,4-dichlorophenyl)-N-methyl-N-[(5S,8R,9R)-9-pyrrolidin-1-yl-4-oxaspiro[4.5]decan-8-yl]acetamide
InChi InChI=1S/C22H30Cl2N2O2/c1-25(21(27)14-16-5-6-17(23)18(24)13-16)19-7-9-22(8-4-12-28-22)15-20(19)26-10-2-3-11-26/h5-6,13,19-20H,2-4,7-12,14-15H2,1H3/t19-,20-,22-/m1/s1
InChiKey NYKCGQQJNVPOLU-KCZVDYSFSA-N
Formula C22H30Cl2N2O2 Molecular Weight 425.39
Cross Link CHEMBL166551
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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