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canSAR1435360
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NAMES
    SMILES
    COc1ccc2[nH]c3c(=O)n(CCCC(=O)NC4CCCCC4C)c(=S)[nH]c3c2c1
    InChI
    InChI=1S/C22H28N4O3S/c1-13-6-3-4-7-16(13)23-18(27)8-5-11-26-21(28)20-19(25-22(26)30)15-12-14(29-2)9-10-17(15)24-20/h9-10,12-13,16,24H,3-8,11H2,1-2H3,(H,23,27)(H,25,30)
    MOLECULAR FORMULA
    C22H28N4O3S
    CROSS REFERENCES
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    canSAR1435360

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 428.19
    AlogP 4.02
    HBond donors 3
    HBond acceptors 7
    Atoms 58
    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 canSAR1435360.