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canSAR2092387
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NAMES
    SMILES
    COc1cc(C(C)C)c(Oc2cnc(NC(=O)C(N)C(C)C)nc2N)cc1I
    InChI
    InChI=1S/C19H26IN5O3/c1-9(2)11-6-14(27-5)12(20)7-13(11)28-15-8-23-19(24-17(15)22)25-18(26)16(21)10(3)4/h6-10,16H,21H2,1-5H3,(H3,22,23,24,25,26)
    MOLECULAR FORMULA
    C19H26IN5O3
    CROSS REFERENCES
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    canSAR2092387

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 499.11
    AlogP 3.51
    HBond donors 5
    HBond acceptors 8
    Atoms 54
    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 canSAR2092387.