canSAR740437
FEATURES
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NAMES
    SMILES
    NCCOCCOCCN1CC23C4=c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c(c2c%20c2c%20c%23c%24c(c5c7c5c9c7c%11c(c%12%16)c9c%17c(c%192)c%23c9c7c%245)C%203C1)C4C1C=6C2c3c1c-%22c(c-%14c3C%13C%10C82)C%211CN(CCOCCOCCN)CC%15%181
    InChI
    InChI=1S/C76H42N4O4/c77-1-5-81-9-11-83-7-3-79-13-73-65-49-38-27-20-21-25-18-17-22-19-23(18)34-43-32(25)39-28(21)30-29(27)40-37-41(30)52-50(39)66-54(43)56-45(34)36-26(19)35-44-33(22)42(31(38)24(17)20)53(65)55(44)67-57-46(35)47(36)58-62-61(57)71(75(67,73)15-79)63-59(69(73)51(40)49)48(37)60-64(63)72(62)76(68(56)58)16-80(14-74(66,76)70(52)60)4-8-84-12-10-82-6-2-78/h19,22,26,33,47,58H,1-16,77-78H2
    MOLECULAR FORMULA
    C76H42N4O4
    CROSS REFERENCES
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    canSAR740437
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1074.32
    AlogP9.81
    HBond donors4
    HBond acceptors8
    Atoms126
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR740437.