canSAR2170277
FEATURES
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NAMES
    SMILES
    CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nccc(Oc4ccccc4)c3C#N)cnc2N)CC1
    InChI
    InChI=1S/C28H27N9O2/c1-28(31)10-14-37(15-11-28)21-8-5-12-33-26(21)36-27(38)24-25(30)34-17-20(35-24)23-19(16-29)22(9-13-32-23)39-18-6-3-2-4-7-18/h2-9,12-13,17H,10-11,14-15,31H2,1H3,(H2,30,34)(H,33,36,38)
    MOLECULAR FORMULA
    C28H27N9O2
    CROSS REFERENCES
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    canSAR2170277
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight521.23
    AlogP3.75
    HBond donors5
    HBond acceptors11
    Atoms66
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2170277.