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canSAR1105404
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NAMES
    SMILES
    O=C(c1ccc(F)cc1)c1cc(F)c(OCc2nnc(COc3c(F)cc(C(=O)c4ccc(I)cc4)cc3Cl)o2)c(Cl)c1
    InChI
    InChI=1S/C30H16Cl2F3IN2O5/c31-21-9-17(27(39)15-1-5-19(33)6-2-15)11-23(34)29(21)41-13-25-37-38-26(43-25)14-42-30-22(32)10-18(12-24(30)35)28(40)16-3-7-20(36)8-4-16/h1-12H,13-14H2
    MOLECULAR FORMULA
    C30H16Cl2F3IN2O5
    CROSS REFERENCES
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    canSAR1105404

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 737.94
    AlogP 8.02
    HBond donors 0
    HBond acceptors 7
    Atoms 59
    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 canSAR1105404.