chempirical

Lgk-974

C23H20N6OCAS 1243244-14-5396.45 g/mol

Open in Covalent MOL file
NNOHNNNN
Amide

Properties

Molecular formula
C23H20N6O
Molar mass
396.45 g/mol
Exact mass
396.1699 Da
logP
3.79Crippen estimate
Polar surface area
93.6 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
5

Identifiers

CAS number
1243244-14-5
SMILES
CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4
InChIKey
XXYGTCZJJLTAGH-UHFFFAOYSA-N
InChI
InChI=1S/C23H20N6O/c1-15-9-17(12-28-23(15)18-5-6-25-16(2)10-18)11-22(30)29-21-4-3-19(13-27-21)20-14-24-7-8-26-20/h3-10,12-14H,11H2,1-2H3,(H,27,29,30)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • Wnt-974

Work with Lgk-974

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Wnt-C591243243-89-149 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Mocetinostat726169-73-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook