1153132 logo
5Y3
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
  • 5Y3
SMILES
CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1N(C)CCN
InChI
InChI=1S/C21H25N9O/c1-13(31)25-17-9-16(5-6-18(17)29(2)8-7-22)26-19-10-20(27-15-3-4-15)30-21(28-19)14(11-23)12-24-30/h5-6,9-10,12,15,27H,3-4,7-8,22H2,1-2H3,(H,25,31)(H,26,28)
MOLECULAR FORMULA
C21H25N9O
CROSS REFERENCES
1153132 logo

5Y3

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 419.22
AlogP 2.27
HBond donors 5
HBond acceptors 10
Atoms 56
Contains toxicophore No
Contains PAINS Yes
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 5Y3.