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canSAR1835441
FEATURES
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NAMES
    SMILES
    CC(C)C(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NN=CC1=C(N2CCOCC2)/C(=C/c2cccc([N+](=O)[O-])c2)CC1
    InChI
    InChI=1S/C33H43N5O5/c1-21(2)29(35-32(40)33-17-23-12-24(18-33)14-25(13-23)19-33)31(39)36-34-20-27-7-6-26(30(27)37-8-10-43-11-9-37)15-22-4-3-5-28(16-22)38(41)42/h3-5,15-16,20-21,23-25,29H,6-14,17-19H2,1-2H3,(H,35,40)(H,36,39)/b26-15+,34-20?
    MOLECULAR FORMULA
    C33H43N5O5
    CROSS REFERENCES
    1835441 logo

    canSAR1835441

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 589.33
    AlogP 4.82
    HBond donors 2
    HBond acceptors 10
    Atoms 86
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1835441.