canSAR823735
FEATURES
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NAMES
    SMILES
    CNCC[C@H](Oc1cccc2c(OC3OC(C(=O)O)C(O)C(O)C3O)c(OC)ccc12)c1cccs1
    InChI
    InChI=1S/C25H29NO9S/c1-26-11-10-16(18-7-4-12-36-18)33-15-6-3-5-14-13(15)8-9-17(32-2)22(14)34-25-21(29)19(27)20(28)23(35-25)24(30)31/h3-9,12,16,19-21,23,25-29H,10-11H2,1-2H3,(H,30,31)/t16-,19?,20?,21?,23?,25?/m0/s1
    MOLECULAR FORMULA
    C25H29NO9S
    CROSS REFERENCES
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    canSAR823735
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight519.16
    AlogP1.91
    HBond donors5
    HBond acceptors10
    Atoms65
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR823735.