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canSAR499101
FEATURES
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NAMES
    SMILES
    Cn1cc(C(=O)OC[C@H]2CN(Cc3cccc4ccccc34)c3cn(CCc4ccccc4)nc3C(=O)N2)c2ccccc21
    InChI
    InChI=1S/C36H33N5O3/c1-39-22-31(30-16-7-8-17-32(30)39)36(43)44-24-28-21-40(20-27-14-9-13-26-12-5-6-15-29(26)27)33-23-41(38-34(33)35(42)37-28)19-18-25-10-3-2-4-11-25/h2-17,22-23,28H,18-21,24H2,1H3,(H,37,42)/t28-/m1/s1
    MOLECULAR FORMULA
    C36H33N5O3
    CROSS REFERENCES
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    canSAR499101

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 583.26
    AlogP 5.75
    HBond donors 1
    HBond acceptors 8
    Atoms 77
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR499101.