CFam Chemical Families Database
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You are searching for "CFAMM00013062" in compound.

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CFAM Mol ID CFAMM00013062
Family CFFAD65 D(2) dopamine receptor and D(1A) dopamine receptor ligand ergoline derivative Pergolide family
Superfamily CFSAD64 D(2) dopamine receptor and D(1A) dopamine receptor ligand ergoline derivative Pergolide Superfamily
Class CFCAD64 Class 64
External ID ZINC00368168 External Source ZINC
PubChem CID 839730 Functional Category Natural Product
Molecule Name 5-(2-(1,6-dimethylpyridin-1-ium-3-yl)ethyl)-2,2-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-2-ium iodide
IUPAC Name 5-[2-(1,6-dimethylpyridin-1-ium-3-yl)ethyl]-2,2-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-ium
Synonyms AC1LHL8I;STOCK1N-07939;MCULE-9154586396;5-[2-(1,6-dimethylpyridin-1-ium-3-yl)ethyl]-2,2-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-ium
InChi InChI=1S/C22H29N3/c1-17-9-10-18(15-23(17)2)11-13-24-21-8-6-5-7-19(21)20-16-25(3,4)14-12-22(20)24/h5-10,15H,11-14,16H2,1-4H3/q+2
InChiKey XBJLFTXBPYLSPJ-UHFFFAOYSA-N
Formula C22H29N3+2 Molecular Weight 335.49
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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