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canSAR1525419
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NAMES
    SMILES
    COc1cccc(/C=N/c2sc(Cc3ccccc3)c(C)c2C(N)=O)c1O
    InChI
    InChI=1S/C21H20N2O3S/c1-13-17(11-14-7-4-3-5-8-14)27-21(18(13)20(22)25)23-12-15-9-6-10-16(26-2)19(15)24/h3-10,12,24H,11H2,1-2H3,(H2,22,25)/b23-12+
    MOLECULAR FORMULA
    C21H20N2O3S
    CROSS REFERENCES
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    canSAR1525419

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 380.12
    AlogP 4.21
    HBond donors 3
    HBond acceptors 5
    Atoms 47
    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 canSAR1525419.