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canSAR220473
FEATURES
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NAMES
    SMILES
    CC[C@@H](NC(=O)c1ccc(CC2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)c1ccc(I)cc1
    InChI
    InChI=1S/C30H33IN2O3/c1-2-27(24-8-10-26(31)11-9-24)32-30(34)25-6-3-21(4-7-25)17-22-13-15-33(16-14-22)19-23-5-12-28-29(18-23)36-20-35-28/h3-12,18,22,27H,2,13-17,19-20H2,1H3,(H,32,34)/t27-/m1/s1
    MOLECULAR FORMULA
    C30H33IN2O3
    CROSS REFERENCES
    220473 logo

    canSAR220473

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 596.15
    AlogP 6.36
    HBond donors 1
    HBond acceptors 5
    Atoms 69
    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 canSAR220473.