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canSAR1685212
FEATURES
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NAMES
    SMILES
    CCC(C)n1c(SCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)nc2ccccc2c1=O
    InChI
    InChI=1S/C27H31N5O2S/c1-6-18(2)31-25(34)20-14-10-11-15-21(20)28-26(31)35-17-24(33)29-23-16-22(27(3,4)5)30-32(23)19-12-8-7-9-13-19/h7-16,18H,6,17H2,1-5H3,(H,29,33)
    MOLECULAR FORMULA
    C27H31N5O2S
    CROSS REFERENCES
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    canSAR1685212

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 489.22
    AlogP 5.58
    HBond donors 1
    HBond acceptors 7
    Atoms 66
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1685212.