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canSAR1127516
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NAMES
    SMILES
    Cc1nc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)nn4c3)ccc2C)c(C)s1
    InChI
    InChI=1S/C23H22N6O3S/c1-12-4-7-16(10-18(12)25-22(31)20-13(2)33-14(3)24-20)32-17-8-9-19-26-23(28-29(19)11-17)27-21(30)15-5-6-15/h4,7-11,15H,5-6H2,1-3H3,(H,25,31)(H,27,28,30)
    MOLECULAR FORMULA
    C23H22N6O3S
    CROSS REFERENCES
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    canSAR1127516

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 462.15
    AlogP 4.50
    HBond donors 2
    HBond acceptors 9
    Atoms 55
    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 canSAR1127516.