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canSAR1506509
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NAMES
    SMILES
    COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1occc1C)CC2
    InChI
    InChI=1S/C29H33N7O3/c1-17-11-14-39-27(17)26-24-22(34-36(26)3)8-6-19-16-30-29(33-25(19)24)32-21-7-5-18(15-23(21)38-4)28(37)31-20-9-12-35(2)13-10-20/h5,7,11,14-16,20H,6,8-10,12-13H2,1-4H3,(H,31,37)(H,30,32,33)
    MOLECULAR FORMULA
    C29H33N7O3
    CROSS REFERENCES
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    canSAR1506509

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 527.26
    AlogP 4.12
    HBond donors 2
    HBond acceptors 10
    Atoms 72
    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 canSAR1506509.