canSAR38502
FEATURES
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NAMES
    SMILES
    CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccc4sc(C(=O)O)cc4c3)CS[C@H]12)c1csc(N)n1
    InChI
    InChI=1S/C22H18N6O7S3/c1-35-26-14(11-8-37-22(23)24-11)17(29)25-15-18(30)28-16(21(33)34)10(7-36-19(15)28)6-27-3-2-12-9(5-27)4-13(38-12)20(31)32/h2-5,8,15,19H,6-7H2,1H3,(H4-,23,24,25,29,31,32,33,34)/b26-14-/t15-,19-/m1/s1
    MOLECULAR FORMULA
    C22H18N6O7S3
    CROSS REFERENCES
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    canSAR38502
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight574.04
    AlogP-0.62
    HBond donors4
    HBond acceptors13
    Atoms56
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR38502.