canSAR858740
FEATURES
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NAMES
    SMILES
    C[N+]1(C)CC23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c(c2c2c4c4c6c9c6c4c4c2c%21c2c%19c(c%18%14)c9c%13c%10c6c9c24)C2=C4c6c(c-%16c9c%10c6C(C5C7=C%10C5(C[N+](C)(C)CC8%115)C9C%15%12)C43C1)C%17C2%20.[I-].[I-]
    InChI
    InChI=1S/C68H26N2.2HI/c1-69(2)5-65-57-41-30-19-12-13-17-10-9-14-11-15(10)26-35-24(17)31-20(13)22-21(19)32-29-33(22)44-42(31)58-46(35)48-37(26)28-18(11)27-36-25(14)34(23(30)16(9)12)45(57)47(36)59-49-38(27)39(28)50-54-53(49)63(67(59,65)7-69)55-51(61(65)43(32)41)40(29)52-56(55)64(54)68(60(48)50)8-70(3,4)6-66(58,68)62(44)52;;/h27,36,48,55,60,63H,5-8H2,1-4H3;2*1H/q+2;;/p-2
    MOLECULAR FORMULA
    C68H26I2N2
    CROSS REFERENCES
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    canSAR858740
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1124.02
    AlogP7.47
    HBond donors0
    HBond acceptors2
    Atoms98
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR858740.