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canSAR1647084
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NAMES
    SMILES
    COc1cc(C(=O)NC[C@@H]2CCCO2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccc(-c3cnn(C)c3)cc1)CC2
    InChI
    InChI=1S/C33H34N8O3/c1-40-19-24(17-36-40)20-6-8-21(9-7-20)31-29-27(39-41(31)2)13-11-23-16-35-33(38-30(23)29)37-26-12-10-22(15-28(26)43-3)32(42)34-18-25-5-4-14-44-25/h6-10,12,15-17,19,25H,4-5,11,13-14,18H2,1-3H3,(H,34,42)(H,35,37,38)/t25-/m0/s1
    MOLECULAR FORMULA
    C33H34N8O3
    CROSS REFERENCES
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    canSAR1647084

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 590.28
    AlogP 4.70
    HBond donors 2
    HBond acceptors 11
    Atoms 78
    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 canSAR1647084.