CFam Chemical Families Database
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You are searching for "CFAMM00398359" 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 CFAMM00398359
Family CFFBM9850 Kappa-type opioid receptor and Cytochrome P450 2D6 ligand SureCN5849115 family
Superfamily CFSBM4970 Cytochrome P450 2D6 and Kappa-type opioid receptor Binder Superfamily
Class CFCBM1602 Class 4652
External ID CHEMBL197070 External Source CHEMBL
PubChem CID 11408724 Functional Category Bioactive
Molecule Name SureCN5847242
IUPAC Name methyl N-[[(2R)-2-[[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-methylcarbamoyl]-3,4-dihydro-2H-chromen-6-yl]methyl]carbamate
Synonyms CHEBI:432104
InChi InChI=1S/C26H33N3O5/c1-28(22(19-6-4-3-5-7-19)17-29-13-12-21(30)16-29)25(31)24-11-9-20-14-18(8-10-23(20)34-24)15-27-26(32)33-2/h3-8,10,14,21-22,24,30H,9,11-13,15-17H2,1-2H3,(H,27,32)/t21-,22+,24+/m0/s1
InChiKey PNDTYSVYFUUGGI-WMTXJRDZSA-N
Formula C26H33N3O5 Molecular Weight 467.56
Cross Link CHEMBL197070
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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