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canSAR1153293
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NAMES
    SMILES
    COc1ccc(N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)NN3C(=O)CSC3c3ccccc3Cl)cn4C3CC3)CC2)cc1
    InChI
    InChI=1S/C33H31ClFN5O4S/c1-44-22-10-8-20(9-11-22)37-12-14-38(15-13-37)29-17-28-24(16-27(29)35)31(42)25(18-39(28)21-6-7-21)32(43)36-40-30(41)19-45-33(40)23-4-2-3-5-26(23)34/h2-5,8-11,16-18,21,33H,6-7,12-15,19H2,1H3,(H,36,43)
    MOLECULAR FORMULA
    C33H31ClFN5O4S
    CROSS REFERENCES
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    canSAR1153293

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 647.18
    AlogP 5.38
    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 canSAR1153293.