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canSAR1066427
FEATURES
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NAMES
    SMILES
    Cc1cccc2c1OP(=O)(O[C@H]1C[C@H](n3cc(I)c(=O)[nH]c3=O)O[C@@H]1CO)OC2
    InChI
    InChI=1S/C17H18IN2O8P/c1-9-3-2-4-10-8-25-29(24,28-15(9)10)27-12-5-14(26-13(12)7-21)20-6-11(18)16(22)19-17(20)23/h2-4,6,12-14,21H,5,7-8H2,1H3,(H,19,22,23)/t12-,13+,14+,29?/m0/s1
    MOLECULAR FORMULA
    C17H18IN2O8P
    CROSS REFERENCES
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    canSAR1066427

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 535.98
    AlogP 1.83
    HBond donors 2
    HBond acceptors 10
    Atoms 47
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1066427.