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canSAR84729
FEATURES
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NAMES
    SMILES
    C[C@]1(CSc2nc3ccccc3[nH]2)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O
    InChI
    InChI=1S/C15H15N3O5S2/c1-15(7-24-14-16-8-4-2-3-5-9(8)17-14)12(13(20)21)18-10(19)6-11(18)25(15,22)23/h2-5,11-12H,6-7H2,1H3,(H,16,17)(H,20,21)/t11-,12+,15+/m1/s1
    MOLECULAR FORMULA
    C15H15N3O5S2
    CROSS REFERENCES
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    canSAR84729

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 381.05
    AlogP 0.85
    HBond donors 2
    HBond acceptors 8
    Atoms 40
    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 canSAR84729.