canSAR2169647
FEATURES
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NAMES
    SMILES
    CNc1cccnc1C#CCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1
    InChI
    InChI=1S/C29H27N7O2/c1-30-25-7-5-11-31-26(25)8-6-12-36(22-13-23(37-3)16-24(14-22)38-4)21-9-10-27-28(15-21)34-29(18-32-27)20-17-33-35(2)19-20/h5,7,9-11,13-19,30H,12H2,1-4H3
    MOLECULAR FORMULA
    C29H27N7O2
    CROSS REFERENCES
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    canSAR2169647
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight505.22
    AlogP4.67
    HBond donors1
    HBond acceptors9
    Atoms65
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2169647.