canSAR1846488
FEATURES
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NAMES
    SMILES
    COc1c(O)c(NCC=CCNc2c(O)c(OC)c3c(O)c2NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)/C(C)=C/[C@H](C)[C@@H](O)[C@@H](OC)CC(C)=C3)c2c(O)c1C=C(C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)C=CC=C(C)C(=O)N2
    InChI
    InChI=1S/C62H86N6O18/c1-31-25-39-51(71)47(67-59(75)33(3)19-17-21-41(79-9)55(85-61(63)77)37(7)29-35(5)49(69)43(27-31)81-11)45(53(73)57(39)83-13)65-23-15-16-24-66-46-48-52(72)40(58(84-14)54(46)74)26-32(2)28-44(82-12)50(70)36(6)30-38(8)56(86-62(64)78)42(80-10)22-18-20-34(4)60(76)68-48/h15-22,25-26,29-30,35-36,41-44,49-50,55-56,65-66,69-74H,23-24,27-28H2,1-14H3,(H2,63,77)(H2,64,78)(H,67,75)(H,68,76)/b16-15?,21-17?,22-18?,31-25?,32-26?,33-19?,34-20?,37-29+,38-30+/t35-,36-,41-,42-,43-,44-,49+,50+,55-,56-/m0/s1
    MOLECULAR FORMULA
    C62H86N6O18
    CROSS REFERENCES
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    canSAR1846488
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1202.60
    AlogP7.98
    HBond donors14
    HBond acceptors24
    Atoms172
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1846488.