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canSAR2050310
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NAMES
    SMILES
    Cc1nc(N[C@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc3ncsc3c2)n1
    InChI
    InChI=1S/C24H22N6S/c1-15(17-5-4-6-18(9-17)20-12-26-30(3)13-20)27-24-11-22(28-16(2)29-24)19-7-8-21-23(10-19)31-14-25-21/h4-15H,1-3H3,(H,27,28,29)/t15-/m1/s1
    MOLECULAR FORMULA
    C24H22N6S
    CROSS REFERENCES
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    canSAR2050310

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 426.16
    AlogP 5.64
    HBond donors 1
    HBond acceptors 6
    Atoms 53
    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 canSAR2050310.