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canSAR1524690
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NAMES
    SMILES
    Cc1ccccc1C(=O)Nc1nc(-c2nnn(-c3ccc(C(C)C)cc3)c2C)ns1
    InChI
    InChI=1S/C22H22N6OS/c1-13(2)16-9-11-17(12-10-16)28-15(4)19(25-27-28)20-23-22(30-26-20)24-21(29)18-8-6-5-7-14(18)3/h5-13H,1-4H3,(H,23,24,26,29)
    MOLECULAR FORMULA
    C22H22N6OS
    CROSS REFERENCES
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    canSAR1524690

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 418.16
    AlogP 4.78
    HBond donors 1
    HBond acceptors 7
    Atoms 52
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1524690.