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canSAR2000624
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NAMES
    SMILES
    Cc1sc2nc(C(C)C)nc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)c2c1C
    InChI
    InChI=1S/C22H26N4O3S2/c1-13(2)19-23-20(18-14(3)15(4)31-21(18)24-19)30-12-17(27)25-7-9-26(10-8-25)22(28)16-6-5-11-29-16/h5-6,11,13H,7-10,12H2,1-4H3
    MOLECULAR FORMULA
    C22H26N4O3S2
    CROSS REFERENCES
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    canSAR2000624

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 458.14
    AlogP 4.10
    HBond donors 0
    HBond acceptors 7
    Atoms 57
    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 canSAR2000624.