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929095-22-7,MFCD18089837
Catalog No.:AA01EQC5

929095-22-7 | GSK461364analogueII

This product is typically in stock,please click "Inquire" below or
contact us at [email protected] for pricing and availability information.
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA01EQC5
Chemical Name:
GSK461364analogueII
CAS Number:
929095-22-7
Molecular Formula:
C27H27F3N4O3S
Molecular Weight:
544.5885
MDL Number:
MFCD18089837
SMILES:
CC(C1=CC=CC=C1C(F)(F)F)OC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)OC5CCN(CC5)C)C(=O)N
Properties
Computed Properties
 
Complexity:
815  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
7  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
5.6  

Literature

Title: Benzimidazole inhibitors induce a DFG-out conformation of never in mitosis gene A-related kinase 2 (Nek2) without binding to the back pocket and reveal a nonlinear structure-activity relationship.

Journal: Journal of medicinal chemistry 20110324

Title: Design of potent thiophene inhibitors of polo-like kinase 1 with improved solubility and reduced protein binding.

Journal: Bioorganic & medicinal chemistry letters 20090315

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SDS
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Tags:929095-22-7 Molecular Formula|929095-22-7 MDL|929095-22-7 SMILES|929095-22-7 GSK461364analogueII
Catalog No.: AA01EQC5
929095-22-7,MFCD18089837
929095-22-7 | GSK461364analogueII
This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.
Inquire
Technical Information
Catalog Number: AA01EQC5
Chemical Name: GSK461364analogueII
CAS Number: 929095-22-7
Molecular Formula: C27H27F3N4O3S
Molecular Weight: 544.5885
MDL Number: MFCD18089837
SMILES: CC(C1=CC=CC=C1C(F)(F)F)OC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)OC5CCN(CC5)C)C(=O)N
Properties
Complexity: 815  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 1  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 38  
Hydrogen Bond Acceptor Count: 9  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 7  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 5.6  
Literature fold

Title: Benzimidazole inhibitors induce a DFG-out conformation of never in mitosis gene A-related kinase 2 (Nek2) without binding to the back pocket and reveal a nonlinear structure-activity relationship.

Journal: Journal of medicinal chemistry20110324

Title: Design of potent thiophene inhibitors of polo-like kinase 1 with improved solubility and reduced protein binding.

Journal: Bioorganic & medicinal chemistry letters20090315

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