CFam Chemical Families Database
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You are searching for "CFAMM00390695" in compound.

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CFAM Mol ID CFAMM00390695
Family CFFBM8805 Melatonin receptor type 1A and Melatonin receptor type 1B ligand N-[[(1R)-2-[2-(4-phenylbutyl)-1-benzofuran-4-yl]cyclopropyl]methyl]acetamide family
Superfamily CFSID1820 Melatonin receptor type 1A and Melatonin receptor type 1B Binder Superfamily
Class CFCAD769 Class 769
External ID ZINC02139702 External Source ZINC
PubChem CID 1795415 Functional Category Natural Product
Molecule Name AC1LX6FJ
IUPAC Name [(4S)-2,2-dimethyloxan-4-yl]methyl-[(3R)-3-(furan-2-yl)-3-phenylpropyl]azanium
Synonyms ZINC02139702;[(4S)-2,2-dimethyloxan-4-yl]methyl-[(3R)-3-(furan-2-yl)-3-phenylpropyl]azanium
InChi InChI=1S/C21H29NO2/c1-21(2)15-17(11-14-24-21)16-22-12-10-19(20-9-6-13-23-20)18-7-4-3-5-8-18/h3-9,13,17,19,22H,10-12,14-16H2,1-2H3/p+1/t17-,19+/m0/s1
InChiKey YLIFUTNQCPIQQY-PKOBYXMFSA-O
Formula C21H30NO2+ Molecular Weight 328.47
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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