canSAR1810482
FEATURES
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NAMES
    SMILES
    O=C(O)CC[C@H](NC(=O)c1ccc(CNc2cccc(C=C3SC(S)=NC3=O)c2)cc1)C(=O)O
    InChI
    InChI=1S/C23H21N3O6S2/c27-19(28)9-8-17(22(31)32)25-20(29)15-6-4-13(5-7-15)12-24-16-3-1-2-14(10-16)11-18-21(30)26-23(33)34-18/h1-7,10-11,17,24H,8-9,12H2,(H,25,29)(H,27,28)(H,31,32)(H,26,30,33)/t17-/m0/s1
    MOLECULAR FORMULA
    C23H21N3O6S2
    CROSS REFERENCES
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    canSAR1810482
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight499.09
    AlogP3.25
    HBond donors4
    HBond acceptors9
    Atoms55
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1810482.