canSAR948841
FEATURES
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NAMES
    SMILES
    COc1ccc2ccc(S(=O)(=O)NC3CCN(Cc4cc(C(N)=[NH2+])ccc4OCC(=O)[O-])C3=O)cc2c1
    InChI
    InChI=1S/C25H26N4O7S/c1-35-19-5-2-15-3-6-20(12-17(15)11-19)37(33,34)28-21-8-9-29(25(21)32)13-18-10-16(24(26)27)4-7-22(18)36-14-23(30)31/h2-7,10-12,21,28H,8-9,13-14H2,1H3,(H3,26,27)(H,30,31)
    MOLECULAR FORMULA
    C25H26N4O7S
    CROSS REFERENCES
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    canSAR948841
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight526.15
    AlogP-1.48
    HBond donors5
    HBond acceptors11
    Atoms63
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR948841.