canSAR4246
FEATURES
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NAMES
    SMILES
    C[n+]1c(O)cc(O)nc1SCC1=C(C(=O)O)N2C(=O)C(NC(=O)/C(=N\OC(C)(C)C(=O)O)c3cnc(N)s3)C2SC1
    InChI
    InChI=1S/C22H23N7O9S3/c1-22(2,19(36)37)38-27-12(9-5-24-20(23)41-9)15(32)26-13-16(33)29-14(18(34)35)8(6-39-17(13)29)7-40-21-25-10(30)4-11(31)28(21)3/h4-5,13,17H,6-7H2,1-3H3,(H6,23,24,26,27,30,31,32,34,35,36,37)/p+1
    MOLECULAR FORMULA
    C22H24N7O9S3+
    CROSS REFERENCES
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    canSAR4246
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight626.08
    AlogP-0.53
    HBond donors7
    HBond acceptors16
    Atoms65
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR4246.