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canSAR1125988
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NAMES
    SMILES
    NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1ccc2oc(=O)[nH]c2c1
    InChI
    InChI=1S/C20H12F2IN3O4/c21-9-5-15(25-13-3-1-10(23)7-12(13)22)18(19(24)27)17(6-9)29-11-2-4-16-14(8-11)26-20(28)30-16/h1-8,25H,(H2,24,27)(H,26,28)
    MOLECULAR FORMULA
    C20H12F2IN3O4
    CROSS REFERENCES
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    canSAR1125988

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 522.98
    AlogP 4.64
    HBond donors 4
    HBond acceptors 7
    Atoms 42
    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 canSAR1125988.