canSAR2153900
FEATURES
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NAMES
    SMILES
    CN(C)Cc1cc(C(=O)N2CCC(N3CC(CC#N)(n4cc(-c5ncnc6[nH]ccc56)cn4)C3)CC2)cc(C(F)F)c1
    InChI
    InChI=1S/C30H33F2N9O/c1-38(2)15-20-11-21(27(31)32)13-22(12-20)29(42)39-9-4-24(5-10-39)40-17-30(18-40,6-7-33)41-16-23(14-37-41)26-25-3-8-34-28(25)36-19-35-26/h3,8,11-14,16,19,24,27H,4-6,9-10,15,17-18H2,1-2H3,(H,34,35,36)
    MOLECULAR FORMULA
    C30H33F2N9O
    CROSS REFERENCES
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    canSAR2153900
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight573.28
    AlogP4.05
    HBond donors1
    HBond acceptors10
    Atoms75
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2153900.