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canSAR1144134
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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)cc3CC[C@H]21)c1ccc(OC)cc1
    InChI
    InChI=1S/C33H47N2O5PS/c1-8-39-41(37,40-9-2)29(23-11-15-26(38-7)16-12-23)34-31(42)35-30(36)33(6)20-10-19-32(5)27-17-13-24(22(3)4)21-25(27)14-18-28(32)33/h11-13,15-17,21-22,28-29H,8-10,14,18-20H2,1-7H3,(H2,34,35,36,42)/t28-,29?,32-,33-/m1/s1
    MOLECULAR FORMULA
    C33H47N2O5PS
    CROSS REFERENCES
    1144134 logo

    canSAR1144134

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 614.29
    AlogP 7.78
    HBond donors 2
    HBond acceptors 7
    Atoms 89
    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 canSAR1144134.