canSAR1084584
FEATURES
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NAMES
    SMILES
    CCc1nc2c(C)cn(Cc3ccccc3C#N)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[nH]3)ccc21
    InChI
    InChI=1S/C33H28N8O/c1-3-29-35-30-20(2)18-40(19-24-9-5-4-8-23(24)17-34)33(42)31(30)41(29)28-15-13-22-16-21(12-14-26(22)28)25-10-6-7-11-27(25)32-36-38-39-37-32/h4-12,14,16,18,28H,3,13,15,19H2,1-2H3,(H,36,37,38,39)/t28-/m0/s1
    MOLECULAR FORMULA
    C33H28N8O
    CROSS REFERENCES
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    canSAR1084584
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight552.24
    AlogP5.37
    HBond donors1
    HBond acceptors9
    Atoms70
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1084584.