canSAR817427
FEATURES
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NAMES
    SMILES
    COc1ccc2cc(CO[C@@H]3[C@H](O)C(O[C@@H]4[C@@H](CO)O[C@H](Oc5ccc(C[C@H]6NC(=O)[C@H]([C@@H](C)c7ccccc7)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](O)[C@@H]7CN=C(N)N7[C@H]7O[C@H](O)[C@@H](O)[C@H](O)[C@@H]7O)NC(=O)[C@H]([C@@H](O)[C@@H]7CN=C(N)N7)NC6=O)cc5)[C@@H](O)[C@H]4O)O[C@H](CO)[C@H]3O)ccc2c1
    InChI
    InChI=1S/C65H86N12O26/c1-26(29-6-4-3-5-7-29)41-57(93)71-34(17-27-9-13-32(14-10-27)99-62-51(89)48(86)53(39(24-80)101-62)102-63-52(90)54(46(84)38(23-79)100-63)98-25-28-8-11-31-18-33(97-2)15-12-30(31)16-28)56(92)75-42(44(82)35-19-69-64(66)73-35)59(95)76-43(58(94)72-36(22-78)55(91)68-21-40(81)74-41)45(83)37-20-70-65(67)77(37)60-49(87)47(85)50(88)61(96)103-60/h3-16,18,26,34-39,41-54,60-63,78-80,82-90,96H,17,19-25H2,1-2H3,(H2,67,70)(H,68,91)(H,71,93)(H,72,94)(H,74,81)(H,75,92)(H,76,95)(H3,66,69,73)/t26-,34+,35-,36-,37-,38+,39+,41-,42-,43+,44-,45-,46+,47+,48+,49-,50-,51-,52-,53+,54-,60-,61-,62-,63?/m0/s1
    MOLECULAR FORMULA
    C65H86N12O26
    CROSS REFERENCES
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    canSAR817427
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1450.58
    AlogP-10.27
    HBond donors24
    HBond acceptors38
    Atoms189
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR817427.