canSAR859732
FEATURES
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NAMES
    SMILES
    C[N+]1(C)C[C@@]23C4=C5C6=C7[C@@H]8C9=c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c(c4c4c2c2c%24c%25c(c%10c(c%11%15)c%10c%16c%19c(c%25%10)c%10c%20c%23c4c%24%10)[C@@H]2[C@H]9[C@]73C1)[C@H]1C%22=C2c3c(c6c(c-%13c3[C@H]([C@H]%14%17)[C@@]23C[N+](C)(C)C[C@]%21%183)[C@@H]%128)[C@@H]51.[I-].[I-]
    InChI
    InChI=1S/C68H28N2.2HI/c1-69(2)5-65-57-41-25-13-11-9-10-12-14-16-21-31-19(12)29(17(9)25)45(57)47(31)59-49-33(21)24-28(16)44-42-26(14)18(10)30-20(11)32-22-15(13)27-23-34(22)50-54-38-35(23)51(61(65)43(27)41)55-39(38)40-37(53(49)63(55)67(59,65)7-69)36(24)52-56(40)64(54)68-8-70(3,4)6-66(68,62(44)52)58(42)46(30)48(32)60(50)68;;/h27,39-40,43,45,48,57,60H,5-8H2,1-4H3;2*1H/q+2;;/p-2/t27-,39-,40-,43+,45+,48-,57+,60+,65-,66-,67+,68+;;/m1../s1
    MOLECULAR FORMULA
    C68H28I2N2
    CROSS REFERENCES
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    canSAR859732
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1126.03
    AlogP5.70
    HBond donors0
    HBond acceptors2
    Atoms100
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR859732.