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canSAR1089696
FEATURES
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NAMES
    SMILES
    COC(=O)c1cc(N/C(S)=N/CCSCCCO[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(N/C(S)=N/CCSCCCO[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
    InChI
    InChI=1S/C32H52N4O14S4/c1-46-28(45)17-12-18(35-31(51)33-4-10-53-8-2-6-47-29-26(43)24(41)22(39)20(15-37)49-29)14-19(13-17)36-32(52)34-5-11-54-9-3-7-48-30-27(44)25(42)23(40)21(16-38)50-30/h12-14,20-27,29-30,37-44H,2-11,15-16H2,1H3,(H2,33,35,51)(H2,34,36,52)/t20-,21-,22+,23+,24-,25-,26+,27+,29-,30-/m0/s1
    MOLECULAR FORMULA
    C32H52N4O14S4
    CROSS REFERENCES
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    canSAR1089696

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 844.24
    AlogP -1.25
    HBond donors 10
    HBond acceptors 18
    Atoms 106
    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 canSAR1089696.