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canSAR1205615
FEATURES
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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)CC[C@]34C)[C@@H]1CC[C@@H]2O
    InChI
    InChI=1S/C25H34N2O4/c1-24-13-11-17(26-31-19-6-4-18(5-7-19)27(29)30)15-16(24)3-8-20-21-9-10-23(28)25(21,2)14-12-22(20)24/h4-7,16,20-23,28H,3,8-15H2,1-2H3/b26-17+/t16-,20+,21+,22+,23+,24+,25+/m1/s1
    MOLECULAR FORMULA
    C25H34N2O4
    CROSS REFERENCES
    1205615 logo

    canSAR1205615

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 426.25
    AlogP 5.73
    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 canSAR1205615.