CFam Chemical Families Database
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You are searching for "CFAMM00292018" in compound.

Total 1 results found.

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CFAM Mol ID CFAMM00292018
Family CFFID3470 Muscarinic acetylcholine receptor M1 and Muscarinic acetylcholine receptor M2 Ligand 2-(4-diethylamino-but-2-ynyl)-isoindole-1,3-dione Family
Superfamily CFSAD528 Tumor necrosis factor Inhibitor Thalidomide Superfamily
Class CFCAD486 Class 486
External ID CHEMBL199636 External Source CHEMBL
PubChem CID 11535021 Functional Category Bioactive
Molecule Name 6-[dimethyl-[4-(2-oxopyrrolidin-1-yl)but-2-ynyl]azaniumyl]hexyl-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)-2,2-dimethylpropyl]-dimethylazanium;dibromide
IUPAC Name 6-[dimethyl-[4-(2-oxopyrrolidin-1-yl)but-2-ynyl]azaniumyl]hexyl-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)-2,2-dimethylpropyl]-dimethylazanium;dibromide
Synonyms AGN-PC-00B2VP;6-[dimethyl-[4-(2-oxopyrrolidin-1-yl)but-2-ynyl]azaniumyl]hexyl-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)-2,2-dimethylpropyl]-dimethylazanium;dibromide
InChi InChI=1S/C35H50N4O3.2BrH/c1-35(2,26-37-33(41)29-18-13-16-28-17-14-19-30(32(28)29)34(37)42)27-39(5,6)25-11-8-7-10-23-38(3,4)24-12-9-21-36-22-15-20-31(36)40;;/h13-14,16-19H,7-8,10-11,15,20-27H2,1-6H3;2*1H/q+2;;/p-2
InChiKey BKCHMSJUESXPAK-UHFFFAOYSA-L
Formula C35H50N4O3.2Br Molecular Weight 734.60
Cross Link CHEMBL199636
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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