CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00077204" in compound.

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CFAM Mol ID CFAMM00077204
Family CFFAD576 Alpha-1B adrenergic receptor ligand Phenylephrine analog Methoxamine Family
Superfamily CFSAD179 Alpha-1 adrenergic receptor ligand Dextroamphetamine derivative Phenylephrine analog Superfamily
Class CFCAD149 Class 149
External ID ZINC00517155 External Source ZINC
PubChem CID 6557454 Functional Category Natural Product
Molecule Name [(2S)-4-(2,4,5-trimethoxyphenyl)butan-2-yl]azanium
IUPAC Name [(2S)-4-(2,4,5-trimethoxyphenyl)butan-2-yl]azanium
Synonyms AC1O6MFC;[(2S)-4-(2,4,5-trimethoxyphenyl)butan-2-yl]azanium
InChi InChI=1S/C13H21NO3/c1-9(14)5-6-10-7-12(16-3)13(17-4)8-11(10)15-2/h7-9H,5-6,14H2,1-4H3/p+1/t9-/m0/s1
InChiKey PDUFRZLKPVMEJH-VIFPVBQESA-O
Formula C13H22NO3+ Molecular Weight 240.32
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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