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canSAR1088225
FEATURES
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NAMES
    SMILES
    C/C=C(/C)C(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]1O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)[C@@H](O)[C@H](O)[C@]4(CO[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)CC[C@]23C)C1(C)C
    InChI
    InChI=1S/C65H106O29/c1-11-26(2)54(83)93-51-46(77)41(72)33(24-85-56-48(79)44(75)39(70)31(22-67)89-56)91-59(51)92-36-15-16-62(8)34(61(36,6)7)14-17-64(10)35(62)13-12-28-29-20-60(4,5)52(81)53(82)65(29,19-18-63(28,64)9)25-86-58-50(94-57-49(80)42(73)37(68)27(3)87-57)45(76)40(71)32(90-58)23-84-55-47(78)43(74)38(69)30(21-66)88-55/h11-12,27,29-53,55-59,66-82H,13-25H2,1-10H3/b26-11-/t27-,29-,30+,31+,32+,33+,34-,35+,36-,37-,38+,39+,40+,41+,42+,43-,44-,45-,46-,47+,48+,49+,50+,51+,52-,53-,55+,56+,57-,58+,59-,62-,63+,64+,65-/m0/s1
    MOLECULAR FORMULA
    C65H106O29
    CROSS REFERENCES
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    canSAR1088225

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1350.68
    AlogP -3.25
    HBond donors 17
    HBond acceptors 29
    Atoms 200
    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 canSAR1088225.