CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00035404" in compound.

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CFAM Mol ID CFAMM00035404
Family CFFAD194 Alpha-2 adrenergic receptor ligand opiate Meperidine Family
Superfamily CFSAD180 opioid receptor, adrenergic receptor ligand opiate Acetylmethadol Meperidine Superfamily
Class CFCAD174 Class 174
External ID ZINC16041978 External Source ZINC
PubChem CID 1798519 Functional Category Natural Product
Molecule Name AC1LXBR1
IUPAC Name [(1R,5S)-8-butyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] (2R)-3-hydroxy-2-phenylpropanoate
Synonyms ZINC16041978;[(1R,5S)-8-butyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] (2R)-3-hydroxy-2-phenylpropanoate
InChi InChI=1S/C21H32NO3/c1-3-4-12-22(2)17-10-11-18(22)14-19(13-17)25-21(24)20(15-23)16-8-6-5-7-9-16/h5-9,17-20,23H,3-4,10-15H2,1-2H3/q+1/t17-,18+,19?,20-,22?/m0/s1
Formula C21H32NO3+ Molecular Weight 346.48
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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).

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National University of Singapore, Singapore

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