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canSAR1025419
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NAMES
    SMILES
    CCn1cc(-c2c(Cc3cccc4ccccc34)cc(=O)n3c2SC[C@H]3C(=O)O)nn1
    InChI
    InChI=1S/C23H20N4O3S/c1-2-26-12-18(24-25-26)21-16(10-15-8-5-7-14-6-3-4-9-17(14)15)11-20(28)27-19(23(29)30)13-31-22(21)27/h3-9,11-12,19H,2,10,13H2,1H3,(H,29,30)/t19-/m0/s1
    MOLECULAR FORMULA
    C23H20N4O3S
    CROSS REFERENCES
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    canSAR1025419

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 432.13
    AlogP 3.60
    HBond donors 1
    HBond acceptors 7
    Atoms 51
    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 canSAR1025419.