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Home Other Building Blocks 1660114-31-7
1660114-31-7,MFCD31715434
Catalog No.:AA01FNMY

1660114-31-7 | NIK SMI1

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$82.00   $57.00
- +
5mg
≥98%
in stock  
$322.00   $225.00
- +
10mg
≥98%
in stock  
$562.00   $393.00
- +
25mg
≥98%
in stock  
$1,003.00   $702.00
- +
  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA01FNMY
Chemical Name:
NIK SMI1
CAS Number:
1660114-31-7
Molecular Formula:
C20H19N3O4
Molecular Weight:
365.3826
MDL Number:
MFCD31715434
SMILES:
COc1cc(nc(c1)c1cccc(c1)C#C[C@]1(O)CCN(C1=O)C)C(=O)N
Properties
Computed Properties
 
Complexity:
654  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
5  
XLogP3:
0.9  

Literature

Title: Blaquiere N, et al. Scaffold-Hopping Approach To Discover Potent, Selective, and Efficacious Inhibitors of NF-κB Inducing Kinase. J Med Chem. 2018 Aug 9;61(15):6801-6813.

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Tags:1660114-31-7 Molecular Formula|1660114-31-7 MDL|1660114-31-7 SMILES|1660114-31-7 NIK SMI1