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canSAR642884
FEATURES
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NAMES
    SMILES
    CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2cc[n+](COC(=O)C3CC3)cc2)n2c1CCC2
    InChI
    InChI=1S/C27H36N4O6/c1-17(2)28-26(33)35-14-21-22(15-36-27(34)29-18(3)4)24(31-11-5-6-23(21)31)19-9-12-30(13-10-19)16-37-25(32)20-7-8-20/h9-10,12-13,17-18,20H,5-8,11,14-16H2,1-4H3,(H-,28,29,33,34)/p+1
    MOLECULAR FORMULA
    C27H37N4O6+
    CROSS REFERENCES
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    canSAR642884

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 513.27
    AlogP 3.57
    HBond donors 2
    HBond acceptors 10
    Atoms 74
    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 canSAR642884.