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canSAR2204388
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NAMES
    SMILES
    Cc1cccc(C)c1SC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1
    InChI
    InChI=1S/C25H34NO4PS/c1-17-4-3-5-18(2)24(17)32-15-19-6-7-21-13-22(9-8-20(21)12-19)23-10-11-25(26,14-23)16-30-31(27,28)29/h3-5,8-9,13,19,23H,6-7,10-12,14-16,26H2,1-2H3,(H2,27,28,29)/t19-,23+,25-/m1/s1
    MOLECULAR FORMULA
    C25H34NO4PS
    CROSS REFERENCES
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    canSAR2204388

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 475.19
    AlogP 5.27
    HBond donors 4
    HBond acceptors 5
    Atoms 66
    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 canSAR2204388.