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canSAR729403
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NAMES
    SMILES
    Cc1ccc(-c2cccc(/C=N/N=C(\S)Nc3cccc(C(=O)O)c3)c2O)cc1C
    InChI
    InChI=1S/C23H21N3O3S/c1-14-9-10-16(11-15(14)2)20-8-4-6-18(21(20)27)13-24-26-23(30)25-19-7-3-5-17(12-19)22(28)29/h3-13,27H,1-2H3,(H,28,29)(H2,25,26,30)/b24-13+
    MOLECULAR FORMULA
    C23H21N3O3S
    CROSS REFERENCES
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    canSAR729403

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 419.13
    AlogP 5.11
    HBond donors 3
    HBond acceptors 6
    Atoms 51
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR729403.