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canSAR1998581
FEATURES
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NAMES
    SMILES
    COc1ccccc1-n1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1cc(C)ccc1C
    InChI
    InChI=1S/C25H25N5O4S/c1-16-10-11-17(2)18(13-16)27-23(31)15-35-25-29-28-22(14-26-24(32)21-9-6-12-34-21)30(25)19-7-4-5-8-20(19)33-3/h4-13H,14-15H2,1-3H3,(H,26,32)(H,27,31)
    MOLECULAR FORMULA
    C25H25N5O4S
    CROSS REFERENCES
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    canSAR1998581

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 491.16
    AlogP 4.15
    HBond donors 2
    HBond acceptors 9
    Atoms 60
    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 canSAR1998581.