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canSAR395104
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NAMES
    SMILES
    COc1cccc(COc2ccc3sc4c(c3c2)NC[C@@H](C)NC4=O)c1
    InChI
    InChI=1S/C20H20N2O3S/c1-12-10-21-18-16-9-15(6-7-17(16)26-19(18)20(23)22-12)25-11-13-4-3-5-14(8-13)24-2/h3-9,12,21H,10-11H2,1-2H3,(H,22,23)/t12-/m1/s1
    MOLECULAR FORMULA
    C20H20N2O3S
    CROSS REFERENCES
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    canSAR395104

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 368.12
    AlogP 4.03
    HBond donors 2
    HBond acceptors 5
    Atoms 46
    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 canSAR395104.