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canSAR1143053
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NAMES
    SMILES
    CCOP(=O)(OCC)C(NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@H]21)c1cccc(OC)c1
    InChI
    InChI=1S/C33H45N2O6PS/c1-8-40-42(38,41-9-2)29(23-12-10-13-24(18-23)39-7)34-31(43)35-30(37)33(6)17-11-16-32(5)26-15-14-22(21(3)4)19-25(26)27(36)20-28(32)33/h10,12-15,18-19,21,28-29H,8-9,11,16-17,20H2,1-7H3,(H2,34,35,37,43)/t28-,29?,32-,33-/m1/s1
    MOLECULAR FORMULA
    C33H45N2O6PS
    CROSS REFERENCES
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    canSAR1143053

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 628.27
    AlogP 7.42
    HBond donors 2
    HBond acceptors 8
    Atoms 88
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1143053.