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canSAR1207471
FEATURES
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NAMES
    SMILES
    O=C1C=CC2C(=C1)Oc1cc(O)ccc1C2c1ccc(NC(=S)NCCCCCC(=O)OC[C@H]2O[C@H](O[C@H]3O[C@H](COC(=O)CCCCCNC(=S)Nc4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc1C(=O)O
    InChI
    InChI=1S/C66H68N4O23S2/c71-33-11-17-39-45(25-33)89-46-26-34(72)12-18-40(46)53(39)37-15-9-31(23-43(37)61(83)84)69-65(94)67-21-5-1-3-7-51(75)87-29-49-55(77)57(79)59(81)63(91-49)93-64-60(82)58(80)56(78)50(92-64)30-88-52(76)8-4-2-6-22-68-66(95)70-32-10-16-38(44(24-32)62(85)86)54-41-19-13-35(73)27-47(41)90-48-28-36(74)14-20-42(48)54/h9-20,23-28,39,49-50,53,55-60,63-64,72-73,77-82H,1-8,21-22,29-30H2,(H,83,84)(H,85,86)(H2,67,69,94)(H2,68,70,95)/t39?,49-,50-,53?,55-,56-,57+,58+,59-,60-,63-,64-/m1/s1
    MOLECULAR FORMULA
    C66H68N4O23S2
    CROSS REFERENCES
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    canSAR1207471

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1348.37
    AlogP 4.65
    HBond donors 14
    HBond acceptors 27
    Atoms 163
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1207471.