canSAR1530681
FEATURES
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NAMES
    SMILES
    Cc1cn(S(=O)(=O)c2cccc(NC3CCN(C)CC3)c2)c2ncc(Cl)cc12.O=C(O)C(O)C(O)C(=O)O
    InChI
    InChI=1S/C20H23ClN4O2S.C4H6O6/c1-14-13-25(20-19(14)10-15(21)12-22-20)28(26,27)18-5-3-4-17(11-18)23-16-6-8-24(2)9-7-16;5-1(3(7)8)2(6)4(9)10/h3-5,10-13,16,23H,6-9H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)
    MOLECULAR FORMULA
    C24H29ClN4O8S
    CROSS REFERENCES
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    canSAR1530681
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight568.14
    AlogP1.62
    HBond donors5
    HBond acceptors12
    Atoms67
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1530681.