canSAR859677
FEATURES
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NAMES
    SMILES
    C[N+]12CCC34c5ccccc5N5/C=C6/C7CC8C9(CC[N+]8(C)C/C7=C/CO)c7ccccc7N(/C=C(/C(CC31)/C(=C/CO)C2)C54)C69.[I-].[I-]
    InChI
    InChI=1S/C40H46N4O2.2HI/c1-43-15-13-39-31-7-3-5-9-33(31)41-22-30-28-20-36-40(14-16-44(36,2)24-26(28)12-18-46)32-8-4-6-10-34(32)42(38(30)40)21-29(37(39)41)27(19-35(39)43)25(23-43)11-17-45;;/h3-12,21-22,27-28,35-38,45-46H,13-20,23-24H2,1-2H3;2*1H/q+2;;/p-2/b25-11-,26-12+,29-21-,30-22-;;
    MOLECULAR FORMULA
    C40H46I2N4O2
    CROSS REFERENCES
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    canSAR859677
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight868.17
    AlogP-1.63
    HBond donors2
    HBond acceptors6
    Atoms94
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR859677.