canSAR858427
FEATURES
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NAMES
    SMILES
    CCCCC1C23C4=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(CCCC)[N+](C)(C)CC%10%131.[I-].[I-]
    InChI
    InChI=1S/C76H42N2.2HI/c1-7-9-11-15-75-69-57-45-33-23-19-21-17-18-22-20-24-31-39-27(20)25(17)37-29(21)41(33)53(57)65-49(37)51(39)67(73(65,75)13-77(15,3)4)55-43(31)36-46-34(24)42-30(22)38-26(18)28(19)40-32(23)44-35(45)48-60-56(44)68-52(40)50(38)66-54(42)58(46)70-62-47(36)59(55)71(75)63(61(48)69)64(62)72(60)76(70)16(12-10-8-2)78(5,6)14-74(66,68)76;;/h15-16,47,56-57,62,68-69H,7-14H2,1-6H3;2*1H/q+2;;/p-2
    MOLECULAR FORMULA
    C76H42I2N2
    CROSS REFERENCES
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    canSAR858427
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1236.14
    AlogP9.73
    HBond donors0
    HBond acceptors2
    Atoms122
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR858427.