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canSAR1591044
FEATURES
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NAMES
    SMILES
    COc1ccc2c3c1O[C@H]1C(=O)CCC4(NC(=O)/C=C\c5ccc([N+](=O)[O-])cc5)C(C2)N(CC2CC2)CCC314
    InChI
    InChI=1S/C30H31N3O6/c1-38-23-10-7-20-16-24-30(31-25(35)11-6-18-4-8-21(9-5-18)33(36)37)13-12-22(34)28-29(30,26(20)27(23)39-28)14-15-32(24)17-19-2-3-19/h4-11,19,24,28H,2-3,12-17H2,1H3,(H,31,35)/b11-6-/t24?,28-,29?,30?/m0/s1
    MOLECULAR FORMULA
    C30H31N3O6
    CROSS REFERENCES
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    canSAR1591044

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 529.22
    AlogP 3.57
    HBond donors 1
    HBond acceptors 9
    Atoms 70
    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 canSAR1591044.