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canSAR1970305
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NAMES
    SMILES
    COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(N)c(I)c1)N2C
    InChI
    InChI=1S/C16H21IN2O2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-13(18)12(17)7-9/h3,5,7,10-11,14-15H,4,6,8,18H2,1-2H3/t10?,11-,14?,15+/m1/s1
    MOLECULAR FORMULA
    C16H21IN2O2
    CROSS REFERENCES
    1970305 logo

    canSAR1970305

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 400.06
    AlogP 2.61
    HBond donors 2
    HBond acceptors 4
    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 canSAR1970305.