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canSAR780908
FEATURES
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NAMES
    SMILES
    CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1[N+](=O)[O-].COc1cc2c(cc1O)C[C@@H]1NCCc3cc(O)c(OC)c-2c31
    InChI
    InChI=1S/C18H19NO4.C10H8N4O5/c1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16;1-6-9(14(18)19)10(15)12(11-6)7-2-4-8(5-3-7)13(16)17/h6-8,12,19-21H,3-5H2,1-2H3;2-5,9H,1H3/t12-;/m0./s1
    MOLECULAR FORMULA
    C28H27N5O9
    CROSS REFERENCES
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    canSAR780908

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 577.18
    AlogP 3.49
    HBond donors 3
    HBond acceptors 14
    Atoms 69
    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 canSAR780908.