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canSAR660118
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NAMES
    SMILES
    COc1ccc2cc3[n+](cc2c1OCCOn1nnc2ccccc21)CCc1cc2c(cc1-3)OCO2.[Br-]
    InChI
    InChI=1S/C27H23N4O5.BrH/c1-32-24-7-6-17-12-23-19-14-26-25(34-16-35-26)13-18(19)8-9-30(23)15-20(17)27(24)33-10-11-36-31-22-5-3-2-4-21(22)28-29-31;/h2-7,12-15H,8-11,16H2,1H3;1H/q+1;/p-1
    MOLECULAR FORMULA
    C27H23BrN4O5
    CROSS REFERENCES
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    canSAR660118

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 562.09
    AlogP 0.34
    HBond donors 0
    HBond acceptors 9
    Atoms 60
    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 canSAR660118.