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89352-67-0,MFCD00239488
Catalog No.:AA00GRHJ

89352-67-0 | ICI 174,864

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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00GRHJ
Chemical Name:
ICI 174,864
CAS Number:
89352-67-0
Molecular Formula:
C38H53N5O7
Molecular Weight:
691.8567
MDL Number:
MFCD00239488
SMILES:
C=CCN([C@H](C(=O)NC(C(=O)NC(C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccccc1)(C)C)(C)C)Cc1ccc(cc1)O)CC=C
Properties
Computed Properties
 
Complexity:
1160  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Heavy Atom Count:
50  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
6  
Rotatable Bond Count:
20  
XLogP3:
2.8  

Literature

Title: Quantitative conformationally sampled pharmacophore for delta opioid ligands: reevaluation of hydrophobic moieties essential for biological activity.

Journal: Journal of medicinal chemistry 20070419

Title: Highly potent and selective phenylmorphan-based inverse agonists of the opioid delta receptor.

Journal: Journal of medicinal chemistry 20060907

Title: Discovery of the first N-substituted 4beta-methyl-5-(3-hydroxyphenyl)morphan to possess highly potent and selective opioid delta receptor antagonist activity.

Journal: Journal of medicinal chemistry 20040115

Title: [Stimulation of peripheral delta1-opioid receptors as a method of preventing ischemic and reperfusion arrhythmia: role of K(ATP)-channels].

Journal: Eksperimental'naia i klinicheskaia farmakologiia 20010101

Title: Design of peptidomimetic delta opioid receptor antagonists using the message-address concept.

Journal: Journal of medicinal chemistry 19900601

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SDS
Tags:89352-67-0 Molecular Formula|89352-67-0 MDL|89352-67-0 SMILES|89352-67-0 ICI 174,864