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canSAR1156319
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NAMES
    SMILES
    COc1ccc(N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)NN3C(=O)CSC3c3ccccc3)cn4C3CC3)CC2)cc1
    InChI
    InChI=1S/C33H32FN5O4S/c1-43-24-11-9-22(10-12-24)36-13-15-37(16-14-36)29-18-28-25(17-27(29)34)31(41)26(19-38(28)23-7-8-23)32(42)35-39-30(40)20-44-33(39)21-5-3-2-4-6-21/h2-6,9-12,17-19,23,33H,7-8,13-16,20H2,1H3,(H,35,42)
    MOLECULAR FORMULA
    C33H32FN5O4S
    CROSS REFERENCES
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    canSAR1156319

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 613.22
    AlogP 4.73
    HBond donors 1
    HBond acceptors 9
    Atoms 76
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1156319.