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canSAR192103
FEATURES
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NAMES
    SMILES
    COC[C@H]1O[C@@H](O[C@@H]2OC[C@@H]3O[C@@]4(OC[C@@H](OC(=O)c5c(C)cc(O)cc5O)[C@@H]5OCO[C@H]54)O[C@H]3[C@H]2OC)[C@@H](OC)[C@@H](OC)C1O[C@@H]1O[C@H](C)[C@H](OC)C(O[C@@H]2O[C@H](C)[C@H]3O[C@]4(C[C@@H](OC)[C@H](O[C@H]5C[C@@H](O[C@H]6C[C@](C)([N+](=O)[O-])[C@@H](OC)[C@H](C)O6)[C@H](OC(=O)c6c(C)c(Cl)c(O)c(Cl)c6OC)[C@@H](C)O5)[C@@H](C)O4)O[C@]3(C)[C@@H]2OC)[C@@]1(C)OC
    InChI
    InChI=1S/C76H109Cl2NO38/c1-30-21-37(80)22-38(81)46(30)66(83)106-42-28-100-76(64-56(42)98-29-99-64)114-43-27-97-68(59(92-16)55(43)115-76)112-69-60(93-17)58(91-15)54(41(107-69)26-87-11)110-71-74(10,96-20)63(53(89-13)33(4)104-71)111-70-65(95-19)73(9)62(36(7)103-70)116-75(117-73)24-40(88-12)52(34(5)113-75)108-44-23-39(105-45-25-72(8,79(85)86)61(94-18)35(6)102-45)51(32(3)101-44)109-67(84)47-31(2)48(77)50(82)49(78)57(47)90-14/h21-22,32-36,39-45,51-56,58-65,68-71,80-82H,23-29H2,1-20H3/t32-,33-,34-,35+,36-,39-,40-,41-,42-,43+,44+,45+,51-,52-,53+,54?,55-,56+,58+,59-,60+,61+,62-,63?,64-,65-,68+,69+,70+,71+,72+,73+,74-,75-,76-/m1/s1
    MOLECULAR FORMULA
    C76H109Cl2NO38
    CROSS REFERENCES
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    canSAR192103

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1713.60
    AlogP 4.92
    HBond donors 3
    HBond acceptors 39
    Atoms 226
    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 canSAR192103.