Antibacterial ligands

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  1. Diacerein
    Cas#: 13739-02-1        Compound CID:  26248
    Formula:  C19H12O8        Molecular Weight: 368.29
    IUPAC Name: 4,5-diacetyloxy-9,10-dioxoanthracene-2-carboxylic acid
    SMILES: CC(=O)OC1=CC=CC2=C1C(=O)C3=C(C2=O)C=C(C=C3OC(=O)C)C(=O)O
    InChIKey: TYNLGDBUJLVSMA-UHFFFAOYSA-N
    InChI: InChI=1S/C19H12O8/c1-8(20)26-13-5-3-4-11-15(13)18(23)16-12(17(11)22)6-10(19(24)25)7-14(16)27-9(2)21/h3-7H,1-2H3,(H,24,25)
    Synonyms: 4,5-diacetoxy-9,10-dioxo-anthracene-2-carboxylic acid | BD164367 | EINECS 237-310-2 | HMS3714B20 | 4,5-bis(acetyloxy)...
  2. Doxycycline, Inhibitor of MMP7;Inhibitor of MMP8
    Cas#: 564-25-0        Compound CID:  54671203
    Formula:  C22H24N2O8        Molecular Weight: 444.44
    IUPAC Name: (4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
    SMILES: CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O
    InChIKey: SGKRLCUYIXIAHR-AKNGSSGZSA-N
    InChI: InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31)/t7-,10+,14+,15-,17-,22-/m0/s1
    Synonyms: Doxivetin | 4-Epioxytetracycline, 6-deoxy- | Vibramycin | Deoxymykoin | DMSC (*Fosfatex) | DTXSID80992212 | FT-062544...
  3. Diacerein
    Cas#: 13739-02-1        Compound CID:  26248
    Formula:  C19H12O8        Molecular Weight: 368.29
    IUPAC Name: 4,5-diacetyloxy-9,10-dioxoanthracene-2-carboxylic acid
    SMILES: CC(=O)OC1=CC=CC2=C1C(=O)C3=C(C2=O)C=C(C=C3OC(=O)C)C(=O)O
    InChIKey: TYNLGDBUJLVSMA-UHFFFAOYSA-N
    InChI: InChI=1S/C19H12O8/c1-8(20)26-13-5-3-4-11-15(13)18(23)16-12(17(11)22)6-10(19(24)25)7-14(16)27-9(2)21/h3-7H,1-2H3,(H,24,25)
    Synonyms: Diacerein|13739-02-1|Diacerhein|Diacetylrhein|Artrodar|Fisiodar|1,8-DIACETOXY-3-CARBOXYANTHRAQUINONE|DIACERIN|SF-277|...
  4. Walrycin B
    Cas#: 878419-78-4        Compound CID:  3164070
    Formula:  C14H10F3N5O2        Molecular Weight: 337.26
    IUPAC Name: 1,6-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione
    SMILES: CN1C2=NC(=O)N(C(=O)C2=NC(=N1)C3=CC=C(C=C3)C(F)(F)F)C
    InChIKey: XRVMPTWWKLKLPB-UHFFFAOYSA-N
    InChI: InChI=1S/C14H10F3N5O2/c1-21-12(23)9-11(19-13(21)24)22(2)20-10(18-9)7-3-5-8(6-4-7)14(15,16)17/h3-6H,1-2H3
  5. Walrycin B
    Cas#: 878419-78-4        Compound CID:  3164070
    Formula:  C14H10F3N5O2        Molecular Weight: 337.26
    IUPAC Name: 1,6-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione
    SMILES: CN1C2=NC(=O)N(C(=O)C2=NC(=N1)C3=CC=C(C=C3)C(F)(F)F)C
    InChIKey: XRVMPTWWKLKLPB-UHFFFAOYSA-N
    InChI: InChI=1S/C14H10F3N5O2/c1-21-12(23)9-11(19-13(21)24)22(2)20-10(18-9)7-3-5-8(6-4-7)14(15,16)17/h3-6H,1-2H3
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