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Home Indole and Oxindoles 155471-10-6
155471-10-6,MFCD19440815
Catalog No.:AA01EOTJ

155471-10-6 | (2-methyl-1-pentyl-1H-indol-3-yl)-1-naphthalenyl-methanone

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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA01EOTJ
Chemical Name:
(2-methyl-1-pentyl-1H-indol-3-yl)-1-naphthalenyl-methanone
CAS Number:
155471-10-6
Molecular Formula:
C25H25NO
Molecular Weight:
355.4721
MDL Number:
MFCD19440815
SMILES:
CCCCCn1c(C)c(c2c1cccc2)C(=O)c1cccc2c1cccc2
Properties
Computed Properties
 
Complexity:
503  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
1  
Rotatable Bond Count:
6  
XLogP3:
6.7  

Literature

Title: Three-dimensional quantitative structure-selectivity relationships analysis guided rational design of a highly selective ligand for the cannabinoid receptor 2.

Journal: European journal of medicinal chemistry 20110201

Title: Development of CoMFA and CoMSIA models of affinity and selectivity for indole ligands of cannabinoid CB1 and CB2 receptors.

Journal: European journal of medicinal chemistry 20090601

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SDS
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Tags:155471-10-6 Molecular Formula|155471-10-6 MDL|155471-10-6 SMILES|155471-10-6 (2-methyl-1-pentyl-1H-indol-3-yl)-1-naphthalenyl-methanone