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canSAR347153
FEATURES
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NAMES
    SMILES
    O=C(O)COC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H]2C1
    InChI
    InChI=1S/C20H24N4O7/c25-18-9-13-7-12(5-6-31-11-19(26)27)8-16(13)17(18)10-21-23-20(28)22-14-1-3-15(4-2-14)24(29)30/h1-5,10,13,16-18,25H,6-9,11H2,(H,26,27)(H2,22,23,28)/b12-5+,21-10+/t13-,16-,17+,18+/m0/s1
    MOLECULAR FORMULA
    C20H24N4O7
    CROSS REFERENCES
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    canSAR347153

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 432.16
    AlogP 2.14
    HBond donors 4
    HBond acceptors 11
    Atoms 55
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR347153.