canSAR1604638
FEATURES
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NAMES
    SMILES
    COc1ccccc1N1CCN(c2ccc(-c3nc(-c4ccccc4)no3)cc2[N+](=O)[O-])CC1
    InChI
    InChI=1S/C25H23N5O4/c1-33-23-10-6-5-9-21(23)29-15-13-28(14-16-29)20-12-11-19(17-22(20)30(31)32)25-26-24(27-34-25)18-7-3-2-4-8-18/h2-12,17H,13-16H2,1H3
    MOLECULAR FORMULA
    C25H23N5O4
    CROSS REFERENCES
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    canSAR1604638
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight457.18
    AlogP4.65
    HBond donors0
    HBond acceptors9
    Atoms57
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1604638.