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canSAR1617746
FEATURES
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NAMES
    SMILES
    CC1(C)CC(=O)C2C(=Nc3[nH]c(=S)[nH]c(=O)c3C2c2ccccc2)C1
    InChI
    InChI=1S/C19H19N3O2S/c1-19(2)8-11-14(12(23)9-19)13(10-6-4-3-5-7-10)15-16(20-11)21-18(25)22-17(15)24/h3-7,13-14H,8-9H2,1-2H3,(H2,21,22,24,25)
    MOLECULAR FORMULA
    C19H19N3O2S
    CROSS REFERENCES
    1617746 logo

    canSAR1617746

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 353.12
    AlogP 3.66
    HBond donors 2
    HBond acceptors 5
    Atoms 44
    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 canSAR1617746.