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canSAR1208363
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NAMES
    SMILES
    C[C@]12CC[C@H]3[C@@H](CC[C@H]4C/C(=N/Oc5ccc([N+](=O)[O-])cc5)[C@H](Cl)C[C@@]43C)[C@@H]1CCC2=O
    InChI
    InChI=1S/C25H31ClN2O4/c1-24-12-11-20-18(19(24)9-10-23(24)29)8-3-15-13-22(21(26)14-25(15,20)2)27-32-17-6-4-16(5-7-17)28(30)31/h4-7,15,18-21H,3,8-14H2,1-2H3/b27-22-/t15-,18-,19-,20-,21+,24-,25-/m0/s1
    MOLECULAR FORMULA
    C25H31ClN2O4
    CROSS REFERENCES
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    canSAR1208363

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 458.20
    AlogP 6.16
    HBond donors 0
    HBond acceptors 6
    Atoms 63
    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 canSAR1208363.