canSAR859197
FEATURES
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NAMES
    SMILES
    CCCCCCC1C23C4=c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c(c5c5c6c6c8c%11c8c%11c%12c%15c%12c(c%20%16)c%21c%15c%23c5c(c68)c%15c%12%11)C2(C[N+]1(C)C)C%22C%19c1c-%18c2c5c(c13)C4C7C9=C5C1(C2C%17%14)C(CCCCCC)[N+](C)(C)CC%10%131.[I-].[I-]
    InChI
    InChI=1S/C80H50N2.2HI/c1-7-9-11-13-15-19-79-73-61-49-37-27-23-25-21-22-26-24-28-35-43-31(24)29(21)41-33(25)45(37)57(61)69-53(41)55(43)71(77(69,79)17-81(19,3)4)59-47(35)40-50-38(28)46-34(26)42-30(22)32(23)44-36(27)48-39(49)52-64-60(48)72-56(44)54(42)70-58(46)62(50)74-66-51(40)63(59)75(79)67(65(52)73)68(66)76(64)80(74)20(16-14-12-10-8-2)82(5,6)18-78(70,72)80;;/h19-20,51,60-61,66,72-73H,7-18H2,1-6H3;2*1H/q+2;;/p-2
    MOLECULAR FORMULA
    C80H50I2N2
    CROSS REFERENCES
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    canSAR859197
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1292.21
    AlogP11.29
    HBond donors0
    HBond acceptors2
    Atoms134
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR859197.