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canSAR840143
FEATURES
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NAMES
    SMILES
    C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(Sc3nc(-c4cc[n+](CC(N)=O)cc4)cs3)[C@H](C)[C@H]12
    InChI
    InChI=1S/C20H20N4O5S2/c1-9-15-14(10(2)25)18(27)24(15)16(19(28)29)17(9)31-20-22-12(8-30-20)11-3-5-23(6-4-11)7-13(21)26/h3-6,8-10,14-15,25H,7H2,1-2H3,(H2-,21,26,28,29)/t9-,10-,14-,15-/m1/s1
    MOLECULAR FORMULA
    C20H20N4O5S2
    CROSS REFERENCES
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    canSAR840143

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 460.09
    AlogP -0.51
    HBond donors 3
    HBond acceptors 9
    Atoms 51
    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 canSAR840143.