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canSAR189189
FEATURES
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NAMES
    SMILES
    C=CCOc1c(Cl)c(C)c(C(=O)O[C@@H]2[C@@H](C)O[C@@H](O[C@H]3[C@H](O)C[C@@]4(O[C@@H]3C)O[C@@H]3[C@@H](C)O[C@@H](O[C@H]5[C@@H](OC)[C@@H](C)O[C@@H](O[C@H]6[C@H](O)[C@H](OC)[C@H](O[C@@H]7OC[C@@H]8O[C@@]9(OC[C@@H](OC(=O)c%10c(C)cc(O)cc%10O)[C@@H]%10OCO[C@H]%109)O[C@H]8[C@H]7O)O[C@@H]6COC)[C@]5(C)O)[C@@H](O)[C@@]3(C)O4)C[C@H]2O[C@H]2C[C@](C)([N+](=O)[O-])[C@@H](OC)[C@H](C)O2)c(OC)c1Cl
    InChI
    InChI=1S/C74H103Cl2NO38/c1-17-18-94-57-46(75)29(3)45(56(91-14)47(57)76)65(85)107-51-30(4)99-42(21-38(51)103-43-23-70(9,77(87)88)60(93-16)33(7)100-43)106-50-32(6)111-73(22-37(50)80)114-61-34(8)101-68(59(83)72(61,11)115-73)109-62-52(90-13)31(5)102-69(71(62,10)86)108-53-39(24-89-12)105-67(58(92-15)48(53)81)110-66-49(82)54-41(25-95-66)112-74(113-54)63-55(96-27-97-63)40(26-98-74)104-64(84)44-28(2)19-35(78)20-36(44)79/h17,19-20,30-34,37-43,48-55,58-63,66-69,78-83,86H,1,18,21-27H2,2-16H3/t30-,31-,32-,33+,34-,37-,38-,39-,40-,41+,42+,43+,48+,49-,50-,51-,52+,53-,54-,55+,58+,59-,60+,61-,62+,63-,66+,67+,68+,69+,70+,71-,72-,73-,74-/m1/s1
    MOLECULAR FORMULA
    C74H103Cl2NO38
    CROSS REFERENCES
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    canSAR189189

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1683.55
    AlogP 2.51
    HBond donors 7
    HBond acceptors 39
    Atoms 218
    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 canSAR189189.