CFam Chemical Families Database
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You are searching for "CFAMM00013707" 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 CFAMM00013707
Family CFFAD66 Melatonin receptor type 1A and Melatonin receptor type 1B ligand tricyclic benzofuran derivative Ramelteon family
Superfamily CFSAD65 Melatonin receptor type 1A and Melatonin receptor type 1B ligand tricyclic benzofuran derivative Ramelteon Superfamily
Class CFCAD65 Class 65
External ID ZINC01295725 External Source ZINC
PubChem CID 1415396 Functional Category Natural Product
Molecule Name AC1LR0BB
IUPAC Name (3S)-N-[(4R)-2,2-dimethyloxan-4-yl]-3-phenyl-3-(4-propan-2-yloxyphenyl)propanamide
Synonyms ZINC01295725;(3S)-N-[(4R)-2,2-dimethyloxan-4-yl]-3-phenyl-3-(4-propan-2-yloxyphenyl)propanamide
InChi InChI=1S/C25H33NO3/c1-18(2)29-22-12-10-20(11-13-22)23(19-8-6-5-7-9-19)16-24(27)26-21-14-15-28-25(3,4)17-21/h5-13,18,21,23H,14-17H2,1-4H3,(H,26,27)/t21-,23+/m1/s1
InChiKey TYLTWIVYGAQIHR-GGAORHGYSA-N
Formula C25H33NO3 Molecular Weight 395.53
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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