CFam Chemical Families Database
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You are searching for "CFAMM00453712" in compound.

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CFAM Mol ID CFAMM00453712
Family CFFBM19930 Muscarinic acetylcholine receptor M1 ligand (2E)-2-[(E)-3-[3,3-dimethyl-1-[6-oxo-6-[2-[2-[2-[4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazin-1-yl]ethoxy]ethoxy]ethylamino]hexyl]-5-sulfo-2H-indol-2-yl]prop-2-enylidene]-1-ethyl-3,3-dimethylindole-5-sulfonic acid family
Superfamily CFSBM89 Muscarinic acetylcholine receptor M1 and Aurora kinase A Binder Superfamily
Class CFCAD794 Class 794
External ID CHEMBL1161713 External Source CHEMBL
PubChem CID 44396263 Functional Category Bioactive
Molecule Name (2E)-2-[(E)-3-[3,3-dimethyl-1-[6-oxo-6-[2-[2-[2-[4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazin-1-yl]ethoxy]ethoxy]ethylamino]hexyl]-5-sulfo-2H-indol-2-yl]prop-2-enylidene]-1-ethyl-3,3-dimethylindole-5-sulfonic acid
IUPAC Name (2E)-2-[(E)-3-[3,3-dimethyl-1-[6-oxo-6-[2-[2-[2-[4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazin-1-yl]ethoxy]ethoxy]ethylamino]hexyl]-5-sulfo-2H-indol-2-yl]prop-2-enylidene]-1-ethyl-3,3-dimethylindole-5-sulfonic acid
Synonyms
InChi InChI=1S/C55H70N8O11S2/c1-6-61-46-22-20-39(75(67,68)69)36-42(46)54(2,3)48(61)17-12-18-49-55(4,5)43-37-40(76(70,71)72)21-23-47(43)62(49)26-11-7-8-19-50(64)56-25-32-73-34-35-74-33-31-59-27-29-60(30-28-59)38-51(65)63-45-16-10-9-14-41(45)53(66)58-44-15-13-24-57-52(44)63/h9-10,12-18,20-24,36-37,49H,6-8,11,19,25-35,38H2,1-5H3,(H,56,64)(H,58,66)(H,67,68,69)(H,70,71,72)/b18-12+,48-17+
InChiKey CLFCFFSQWDESLM-ZFUKADQNSA-N
Formula C55H70N8O11S2 Molecular Weight 1083.32
Cross Link CHEMBL1161713
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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National University of Singapore, Singapore


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