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canSAR394587
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NAMES
    SMILES
    Cc1ccc(CSC[C@@H](NC(=O)[C@@H](CS)Cc2cccc3ccccc23)C(=O)O)cc1
    InChI
    InChI=1S/C25H27NO3S2/c1-17-9-11-18(12-10-17)15-31-16-23(25(28)29)26-24(27)21(14-30)13-20-7-4-6-19-5-2-3-8-22(19)20/h2-12,21,23,30H,13-16H2,1H3,(H,26,27)(H,28,29)/t21-,23-/m1/s1
    MOLECULAR FORMULA
    C25H27NO3S2
    CROSS REFERENCES
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    canSAR394587

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 453.14
    AlogP 4.74
    HBond donors 2
    HBond acceptors 4
    Atoms 58
    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 canSAR394587.