canSAR1711696
FEATURES
Loading...
NAMES
    SMILES
    CC(=O)Nc1cc2c(cc1NC(=O)Cn1nnc(-c3ccc(C)o3)n1)OCCO2
    InChI
    InChI=1S/C18H18N6O5/c1-10-3-4-14(29-10)18-21-23-24(22-18)9-17(26)20-13-8-16-15(27-5-6-28-16)7-12(13)19-11(2)25/h3-4,7-8H,5-6,9H2,1-2H3,(H,19,25)(H,20,26)
    MOLECULAR FORMULA
    C18H18N6O5
    CROSS REFERENCES
    Loading...
    canSAR1711696
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight398.13
    AlogP1.61
    HBond donors2
    HBond acceptors11
    Atoms47
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1711696.