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canSAR1727069
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NAMES
    SMILES
    O=C(O)CC(NC(=O)C12CC3CC(CC(C3)C1)C2)c1cc([N+](=O)[O-])ccc1Cl
    InChI
    InChI=1S/C20H23ClN2O5/c21-16-2-1-14(23(27)28)6-15(16)17(7-18(24)25)22-19(26)20-8-11-3-12(9-20)5-13(4-11)10-20/h1-2,6,11-13,17H,3-5,7-10H2,(H,22,26)(H,24,25)
    MOLECULAR FORMULA
    C20H23ClN2O5
    CROSS REFERENCES
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    canSAR1727069

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 406.13
    AlogP 4.10
    HBond donors 2
    HBond acceptors 7
    Atoms 51
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1727069.