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canSAR464506
FEATURES
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NAMES
    SMILES
    CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N(CC(=O)O)Cc1cc(C(C)(C)C)cc(I)c1O
    InChI
    InChI=1S/C28H37IN2O6/c1-6-37-27(36)23(13-12-19-10-8-7-9-11-19)30-18(2)26(35)31(17-24(32)33)16-20-14-21(28(3,4)5)15-22(29)25(20)34/h7-11,14-15,18,23,30,34H,6,12-13,16-17H2,1-5H3,(H,32,33)/t18-,23-/m0/s1
    MOLECULAR FORMULA
    C28H37IN2O6
    CROSS REFERENCES
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    canSAR464506

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 624.17
    AlogP 4.25
    HBond donors 3
    HBond acceptors 8
    Atoms 74
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR464506.