canSAR81797
FEATURES
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NAMES
    SMILES
    Cc1oc2cc3sc4ccccc4c3c(-c3cc(I)c(O[C@H](Cc4ccccc4)C(=O)O)c(I)c3)c2c1C
    InChI
    InChI=1S/C31H22I2O4S/c1-16-17(2)36-23-15-26-29(20-10-6-7-11-25(20)38-26)28(27(16)23)19-13-21(32)30(22(33)14-19)37-24(31(34)35)12-18-8-4-3-5-9-18/h3-11,13-15,24H,12H2,1-2H3,(H,34,35)/t24-/m1/s1
    MOLECULAR FORMULA
    C31H22I2O4S
    CROSS REFERENCES
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    canSAR81797
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight743.93
    AlogP9.37
    HBond donors1
    HBond acceptors4
    Atoms60
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR81797.