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canSAR354506
FEATURES
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NAMES
    SMILES
    CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2C[n+]1ccccc1)OCO3
    InChI
    InChI=1S/C27H22N3O6/c1-2-27(33)19-9-21-24-17(12-30(21)25(31)18(19)13-34-26(27)32)16(11-29-6-4-3-5-7-29)15-8-22-23(36-14-35-22)10-20(15)28-24/h3-10,33H,2,11-14H2,1H3/q+1/t27-/m0/s1
    MOLECULAR FORMULA
    C27H22N3O6+
    CROSS REFERENCES
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    canSAR354506

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 484.15
    AlogP 2.14
    HBond donors 1
    HBond acceptors 9
    Atoms 58
    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 canSAR354506.