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canSAR1269354
FEATURES
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NAMES
    SMILES
    CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)[n+](Cc4ccccc4[N+](=O)[O-])cnc32)[C@H](O)[C@@H]1[O-]
    InChI
    InChI=1S/C19H20N7O6/c1-2-21-18(29)15-13(27)14(28)19(32-15)25-9-22-12-16(20)24(8-23-17(12)25)7-10-5-3-4-6-11(10)26(30)31/h3-6,8-9,13-15,19-20,28H,2,7H2,1H3,(H,21,29)/q-1/p+1/t13-,14+,15-,19+/m0/s1
    MOLECULAR FORMULA
    C19H21N7O6
    CROSS REFERENCES
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    canSAR1269354

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 443.16
    AlogP -1.62
    HBond donors 4
    HBond acceptors 13
    Atoms 53
    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 canSAR1269354.