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canSAR2049398
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NAMES
    SMILES
    COc1cc(C[C@]2(O)CC[C@H]3[C@@H]4CCc5cc(OS(N)(=O)=O)ccc5[C@H]4CC[C@@]32C)cc(OC)c1
    InChI
    InChI=1S/C27H35NO6S/c1-26-10-8-23-22-7-5-19(34-35(28,30)31)14-18(22)4-6-24(23)25(26)9-11-27(26,29)16-17-12-20(32-2)15-21(13-17)33-3/h5,7,12-15,23-25,29H,4,6,8-11,16H2,1-3H3,(H2,28,30,31)/t23-,24-,25+,26+,27-/m1/s1
    MOLECULAR FORMULA
    C27H35NO6S
    CROSS REFERENCES
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    canSAR2049398

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 501.22
    AlogP 4.12
    HBond donors 3
    HBond acceptors 7
    Atoms 70
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2049398.