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canSAR1128890
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NAMES
    SMILES
    O=C(NCC1CCNCC1)c1cc(-c2c(O)cc(O)cc2Oc2ccc([N+](=O)[O-])cc2)on1
    InChI
    InChI=1S/C22H22N4O7/c27-15-9-18(28)21(19(10-15)32-16-3-1-14(2-4-16)26(30)31)20-11-17(25-33-20)22(29)24-12-13-5-7-23-8-6-13/h1-4,9-11,13,23,27-28H,5-8,12H2,(H,24,29)
    MOLECULAR FORMULA
    C22H22N4O7
    CROSS REFERENCES
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    canSAR1128890

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 454.15
    AlogP 3.18
    HBond donors 4
    HBond acceptors 11
    Atoms 55
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1128890.