Antibacterial ligands
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CefetametCas#: 65052-63-3 Compound CID: 5487888Formula: C14H15N5O5S2 Molecular Weight: 397.43IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidSMILES: CC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)OInChIKey: MQLRYUCJDNBWMV-GHXIOONMSA-NInChI: InChI=1S/C14H15N5O5S2/c1-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24-2)6-4-26-14(15)16-6/h4,8,12H,3H2,1-2H3,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1Synonyms: Deacetoxycefotaxime, 97% | CS-0014040 | (+/-)-2,3-dibromo-1,4-butanediol | CEFETAMET [USP-RS] | CEMT | Ro-15-8074 | S...
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Lincomycin, Bacterial 70S ribosome inhibitorCas#: 154-21-2 Compound CID: 3000540Formula: C18H34N2O6S Molecular Weight: 406.54IUPAC Name: (2S,4R)-N-[(1R,2R)-2-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamideSMILES: CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)OInChIKey: OJMMVQQUTAEWLP-KIDUDLJLSA-NInChI: InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11+,12-,13+,14-,15-,16-,18-/m1/s1Synonyms: methyl 6,8-dideoxy-6-[[[(2S,4R)-1-methyl-4-propyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-D-erythro-α-D-galacto-octopyr...
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Metronidazole, DNA inhibitorCas#: 443-48-1 Compound CID: 4173Formula: C6H9N3O3 Molecular Weight: 171.15IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethanolSMILES: CC1=NC=C(N1CCO)[N+](=O)[O-]InChIKey: VAOCPAMSLUNLGC-UHFFFAOYSA-NInChI: InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3Synonyms: 2-(2-methyl-5-nitro-1-imidazolyl)ethanol | BAY-5360 | NSC69587 | NSC-69587 | Trimeks | Flagesol | Orvagil | Metronida...
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PafuramidineCas#: 186953-56-0 Compound CID: 5480200Formula: C20H20N4O3 Molecular Weight: 364.40IUPAC Name: N'-methoxy-4-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]benzenecarboximidamideSMILES: CON=C(C1=CC=C(C=C1)C2=CC=C(O2)C3=CC=C(C=C3)C(=NOC)N)NInChIKey: UKOQVLAXCBRRGH-UHFFFAOYSA-NInChI: InChI=1S/C20H20N4O3/c1-25-23-19(21)15-7-3-13(4-8-15)17-11-12-18(27-17)14-5-9-16(10-6-14)20(22)24-26-2/h3-12H,1-2H3,(H2,21,23)(H2,22,24)Synonyms: H1VG379J2X | 4,4'-(Furan-2,5-diyl)bis(N-methoxybenzimidamide) | N'-methoxy-4-[5-[4-[(Z)-N'-methoxycarbamimidoyl]pheny...
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PhleomycinCas#: 11006-33-0Formula: C55H84N20O21S2Cu • HCl Molecular Weight: 1525.5IUPAC Name: 2-[2-[2-[[2-[[4-[[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[3-[4-carbamoyl-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-oxobutanoyl]amino]ethyl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxamideSMILES: CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)(C)OC4C(C(C(C(O4)CO)O)(C(=O)N)O)O)C(=O)NC(C)C(C(C)C(=O)NC(C(=O)C)C(=O)NCCC5=NC(CS5)C6=NC(=CS6)C(=O)N)OInChIKey: QRBLKGHRWFGINE-UHFFFAOYSA-NInChI: InChI=1S/C51H75N17O21S2/c1-16-29(65-41(68-38(16)54)21(8-27(53)72)60-9-20(52)39(55)78)44(82)67-31(34(22-10-58-15-61-22)88-49-50(5,36(76)33(74)25(11-69)87-49)89-47-37(77)51(85,48(57)84)35(75)26(12-70)86-47)45(83)62-18(3)32(73)17(2)42(80)66-30(19(4)71)43(81)59-7-6-28-63-24(14-90-28)46-64-23(13-91-46)40(56)79/h10,13,15,17-18,20-21,24-26,30-37,47,49,60,69-70,73-77,85H,6-9,11-12,14,52H2,1-5H3,(H2,53,72)(H2,55,78)(H2,56,79)(H2,57,84)(H,58,61)(H,59,81)(H,62,83)(H,66,80)(H,67,82)(H2,54,65,68)Synonyms: SMP2_000219 | FT-0697305
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MetronidazoleCas#: 443-48-1 Compound CID: 4173Formula: C6H9N3O3 Molecular Weight: 171.15IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethanolSMILES: CC1=NC=C(N1CCO)[N+](=O)[O-]InChIKey: VAOCPAMSLUNLGC-UHFFFAOYSA-NInChI: InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3Synonyms: 2-(2-methyl-5-nitro-1-imidazolyl)ethanol | BAY-5360 | NSC69587 | NSC-69587 | Trimeks | Flagesol | Orvagil | Metronida...
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Polyhexamethyleneguanidine hydrochlorideCas#: 57028-96-3 Compound CID: 14771682Formula: (C7H16N3Cl)nIUPAC Name: 1,2-dibutylguanidineSMILES: CCCCNC(=NCCCC)NInChIKey: HXEJAEDEMWCUTP-UHFFFAOYSA-NInChI: InChI=1S/C9H21N3/c1-3-5-7-11-9(10)12-8-6-4-2/h3-8H2,1-2H3,(H3,10,11,12)Synonyms: Guanidine, N,N'-dibutyl-|57028-96-3|34331-58-3|1,2-dibutylguanidine|CHEMBL80081|1,3-dibutylguanidine|(E)-1,2-Dibutylg...
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AmoxicillinCas#: 26787-78-0 Compound CID: 33613Formula: C16H19N3O5S Molecular Weight: 365.4IUPAC Name: (2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidSMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)CInChIKey: LSQZJLSUYDQPKJ-NJBDSQKTSA-NInChI: InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1Synonyms: Amoxicillin (as trihydrate) | Damoxy | Metifarma capsules | Siganopen | UNII-9EM05410Q9 | BLP 1410 | BL-P 1410 | Amox...
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Ampicillin NaCas#: 69-52-3 Compound CID: 23663979Formula: C16H18N3NaO4S Molecular Weight: 371.39IUPAC Name: sodium;(2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylateSMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)[O-])C.[Na+]InChIKey: KLOHDWPABZXLGI-YWUHCJSESA-MInChI: InChI=1S/C16H19N3O4S.Na/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8;/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23);/q;+1/p-1/t9-,10-,11+,14-;/m1./s1Synonyms: AMPICILLIN SODIUM (USP MONOGRAPH) | sodium (2S,5R,6R)-6-{[(2R)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thi...
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Ampicillin NaCas#: 69-52-3 Compound CID: 23663979Formula: C16H18N3NaO4S Molecular Weight: 371.39IUPAC Name: sodium;(2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylateSMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)[O-])C.[Na+]InChIKey: KLOHDWPABZXLGI-YWUHCJSESA-MInChI: InChI=1S/C16H19N3O4S.Na/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8;/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23);/q;+1/p-1/t9-,10-,11+,14-;/m1./s1Synonyms: AMPICILLIN SODIUM (USP MONOGRAPH) | sodium (2S,5R,6R)-6-{[(2R)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thi...
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Telithromycin, Bacterial 70S ribosome inhibitorCas#: 191114-48-4 Compound CID: 3002190Formula: C43H65N5O10 Molecular Weight: 812IUPAC Name: (1S,2R,5R,7R,8R,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-15-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetroneSMILES: CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCN4C=C(N=C4)C5=CN=CC=C5)CInChIKey: LJVAJPDWBABPEJ-PNUFFHFMSA-NInChI: InChI=1S/C43H65N5O10/c1-12-33-43(8)37(48(41(53)58-43)19-14-13-18-47-23-31(45-24-47)30-16-15-17-44-22-30)27(4)34(49)25(2)21-42(7,54-11)38(28(5)35(50)29(6)39(52)56-33)57-40-36(51)32(46(9)10)20-26(3)55-40/h15-17,22-29,32-33,36-38,40,51H,12-14,18-21H2,1-11H3/t25-,26-,27+,28+,29-,32+,33-,36-,37-,38-,40+,42-,43-/m1/s1
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LomefloxacinCas#: 98079-51-7 Compound CID: 3948Formula: C17H19F2N3O3 Molecular Weight: 353.37IUPAC Name: 1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acidSMILES: CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCNC(C3)C)F)C(=O)OInChIKey: ZEKZLJVOYLTDKK-UHFFFAOYSA-NInChI: InChI=1S/C17H19F2N3O3/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25)Synonyms: LOMEFLOXACIN [MI] | RKL10067 | DTXSID4040680 | Lopac0_000678 | HMS2090O16 | HY-B0455A | (+/-)-1-ethyl-6,8-difluoro-1,...