canSAR859679
FEATURES
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NAMES
    SMILES
    CCCCCCCCCC1C23C4=C5c6c7c8c9c(c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c%24c(c6c6c8c8c%25c9c%11c%14c%25c9c%15c%18c%11c(c%23%19)c%24c6c8c%119)C5C%22c5c4c4c6c(c5-%21)C(C%20%17)C5(C6=C%12C%10C42)C(CCCCCCCCC)[N+](C)(C)CC%13%165)C73C[N+]1(C)C.[I-].[I-]
    InChI
    InChI=1S/C86H62N2.2HI/c1-7-9-11-13-15-17-19-21-25-85-79-67-54-43-32-27-28-33-29(32)36-45(54)56-57-46(36)55-44(33)53-42-35(28)31-30-34(27)41-48-37(30)39-40-38(31)49(42)60-62-51(40)47-50(39)61-59(48)75(63(67)52(41)43)83(85,23-87(25,3)4)77(61)65-58(47)66-72-71(65)81(85)73(69(56)79)74-70(57)80-68(55)64(53)76(60)84(78(62)66)24-88(5,6)26(86(80,84)82(72)74)22-20-18-16-14-12-10-8-2;;/h25-26,45,54,68,71,80-81H,7-24H2,1-6H3;2*1H/q+2;;/p-2
    MOLECULAR FORMULA
    C86H62I2N2
    CROSS REFERENCES
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    canSAR859679
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1376.30
    AlogP14.49
    HBond donors0
    HBond acceptors2
    Atoms152
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR859679.