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canSAR1512809
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NAMES
    SMILES
    COc1ccccc1N=C(S)N(Cc1ccc(C(=O)O)cc1)Cc1ccc(OC)c(OC)c1
    InChI
    InChI=1S/C25H26N2O5S/c1-30-21-7-5-4-6-20(21)26-25(33)27(15-17-8-11-19(12-9-17)24(28)29)16-18-10-13-22(31-2)23(14-18)32-3/h4-14H,15-16H2,1-3H3,(H,26,33)(H,28,29)
    MOLECULAR FORMULA
    C25H26N2O5S
    CROSS REFERENCES
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    canSAR1512809

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 466.16
    AlogP 5.03
    HBond donors 1
    HBond acceptors 7
    Atoms 59
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1512809.