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canSAR1830515
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NAMES
    SMILES
    COC(CNC(=O)c1ccc(Cn2c(=S)[nH]c3cc4c(cc3c2=O)OCO4)cc1)OC
    InChI
    InChI=1S/C21H21N3O6S/c1-27-18(28-2)9-22-19(25)13-5-3-12(4-6-13)10-24-20(26)14-7-16-17(30-11-29-16)8-15(14)23-21(24)31/h3-8,18H,9-11H2,1-2H3,(H,22,25)(H,23,31)
    MOLECULAR FORMULA
    C21H21N3O6S
    CROSS REFERENCES
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    canSAR1830515

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 443.12
    AlogP 2.18
    HBond donors 2
    HBond acceptors 9
    Atoms 52
    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 canSAR1830515.