CFam Chemical Families Database
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You are searching for "CFAMM00072281" in compound.

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CFAM Mol ID CFAMM00072281
Family CFFAD524 Noradrenergic re-uptake Inhibitor Reboxetine Family
Superfamily CFSAD152 monoamine reuptake and receptor binding Fluoxetine Reboxetine Bevantolol Nebivolol Superfamily
Class CFCAD149 Class 149
External ID ZINC04043147 External Source ZINC
PubChem CID 7082725 Functional Category Natural Product
Molecule Name AC1OEKZ1
IUPAC Name 2-[(2R,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl-[(4-propan-2-yloxyphenyl)methyl]azanium
Synonyms ZINC04043147;2-[(2R,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl-[(4-propan-2-yloxyphenyl)methyl]azanium
InChi InChI=1S/C27H39NO2/c1-20(2)26-18-27(15-17-29-26,24-10-6-22(5)7-11-24)14-16-28-19-23-8-12-25(13-9-23)30-21(3)4/h6-13,20-21,26,28H,14-19H2,1-5H3/p+1/t26-,27+/m1/s1
InChiKey XCCHMKUUKILYOF-SXOMAYOGSA-O
Formula C27H40NO2+ Molecular Weight 410.61
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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