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canSAR149456
FEATURES
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NAMES
    SMILES
    O=C(/C=C/c1ccc(O)c(O)c1)OCCn1cc(COCC(COCc2cn(CCOC(=O)/C=C/c3ccc(O)c(O)c3)nn2)(COCc2cn(CCOC(=O)/C=C/c3ccc(O)c(O)c3)nn2)COCc2cn(CCOC(=O)/C=C/c3ccc(O)c(O)c3)nn2)nn1
    InChI
    InChI=1S/C61H64N12O20/c74-49-9-1-41(25-53(49)78)5-13-57(82)90-21-17-70-29-45(62-66-70)33-86-37-61(38-87-34-46-30-71(67-63-46)18-22-91-58(83)14-6-42-2-10-50(75)54(79)26-42,39-88-35-47-31-72(68-64-47)19-23-92-59(84)15-7-43-3-11-51(76)55(80)27-43)40-89-36-48-32-73(69-65-48)20-24-93-60(85)16-8-44-4-12-52(77)56(81)28-44/h1-16,25-32,74-81H,17-24,33-40H2/b13-5+,14-6+,15-7+,16-8+
    MOLECULAR FORMULA
    C61H64N12O20
    CROSS REFERENCES
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    canSAR149456

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1284.44
    AlogP 3.88
    HBond donors 8
    HBond acceptors 32
    Atoms 157
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR149456.