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canSAR1205187
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NAMES
    SMILES
    C[C@]12CC[C@H]3[C@@H](CC[C@H]4C/C(=N/Oc5ccc([N+](=O)[O-])cc5Cl)CC[C@@]43C)[C@@H]1CC[C@@H]2O
    InChI
    InChI=1S/C25H33ClN2O4/c1-24-11-9-16(27-32-22-7-4-17(28(30)31)14-21(22)26)13-15(24)3-5-18-19-6-8-23(29)25(19,2)12-10-20(18)24/h4,7,14-15,18-20,23,29H,3,5-6,8-13H2,1-2H3/b27-16+/t15-,18-,19-,20-,23-,24-,25-/m0/s1
    MOLECULAR FORMULA
    C25H33ClN2O4
    CROSS REFERENCES
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    canSAR1205187

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 460.21
    AlogP 6.39
    HBond donors 1
    HBond acceptors 6
    Atoms 65
    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 canSAR1205187.