canSAR1631916
FEATURES
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NAMES
    SMILES
    COC(=O)N1CCc2nc(-c3cc(C(=O)N4CCC(c5ccc(C#N)cc5)CC4)ccc3C)[nH]c2C1
    InChI
    InChI=1S/C28H29N5O3/c1-18-3-6-22(15-23(18)26-30-24-11-14-33(28(35)36-2)17-25(24)31-26)27(34)32-12-9-21(10-13-32)20-7-4-19(16-29)5-8-20/h3-8,15,21H,9-14,17H2,1-2H3,(H,30,31)
    MOLECULAR FORMULA
    C28H29N5O3
    CROSS REFERENCES
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    canSAR1631916
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight483.23
    AlogP4.40
    HBond donors1
    HBond acceptors8
    Atoms65
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1631916.