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canSAR1522080
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NAMES
    SMILES
    CSc1ccc(/C=C(/C(=O)NCc2ccc(C(=O)NO)cc2)c2cccnc2)cc1
    InChI
    InChI=1S/C23H21N3O3S/c1-30-20-10-6-16(7-11-20)13-21(19-3-2-12-24-15-19)23(28)25-14-17-4-8-18(9-5-17)22(27)26-29/h2-13,15,29H,14H2,1H3,(H,25,28)(H,26,27)/b21-13+
    MOLECULAR FORMULA
    C23H21N3O3S
    CROSS REFERENCES
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    canSAR1522080

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 419.13
    AlogP 3.78
    HBond donors 3
    HBond acceptors 6
    Atoms 51
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1522080.