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canSAR1060473
FEATURES
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NAMES
    SMILES
    COC(=O)[C@H]1CC[C@@H](I)[C@H]2[C@@H]1[C@H](C(=O)OC)[C@H](c1ccc(OC)cc1)N2c1ccccc1
    InChI
    InChI=1S/C25H28INO5/c1-30-17-11-9-15(10-12-17)22-21(25(29)32-3)20-18(24(28)31-2)13-14-19(26)23(20)27(22)16-7-5-4-6-8-16/h4-12,18-23H,13-14H2,1-3H3/t18-,19+,20-,21-,22-,23-/m0/s1
    MOLECULAR FORMULA
    C25H28INO5
    CROSS REFERENCES
    1060473 logo

    canSAR1060473

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 549.10
    AlogP 4.42
    HBond donors 0
    HBond acceptors 6
    Atoms 60
    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 canSAR1060473.