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canSAR551997
FEATURES
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NAMES
    SMILES
    COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2cc(I)c(OC)c(OC)c2)CC1.O=C(O)C(=O)O
    InChI
    InChI=1S/C26H34IN3O4.C2H2O4/c1-32-23-9-5-4-8-22(23)30-16-14-29(15-17-30)13-7-6-12-28-25(31)11-10-20-18-21(27)26(34-3)24(19-20)33-2;3-1(4)2(5)6/h4-5,8-11,18-19H,6-7,12-17H2,1-3H3,(H,28,31);(H,3,4)(H,5,6)/b11-10+;
    MOLECULAR FORMULA
    C28H36IN3O8
    CROSS REFERENCES
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    canSAR551997

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 669.15
    AlogP 3.20
    HBond donors 3
    HBond acceptors 11
    Atoms 76
    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 canSAR551997.