Antibacterial ligands

Cas#: 224452-66-8        Compound CID:  6918462

Formula:  C₃₀H₄₇NO₄S        Molecular Weight: 517.76

IUPAC Name: [(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]sulfanyl]acetate

SMILES: CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)CSC4CC5CCC(C4)N5C)C

InChIKey: STZYTFJPGGDRJD-FJJJPKKESA-N

InChI: InChI=1S/C30H47NO4S/c1-7-28(4)16-24(35-25(33)17-36-22-14-20-8-9-21(15-22)31(20)6)29(5)18(2)10-12-30(19(3)27(28)34)13-11-23(32)26(29)30/h7,18-22,24,26-27,34H,1,8-17H2,2-6H3/t18-,19+,20-,21+,22?,24-,26+,27+,28-,29+,30+/m1/s1

Cas#: 165800-03-3        Compound CID:  441401

Formula:  C₁₆H₂₀FN₃O₄        Molecular Weight: 337.35

IUPAC Name: N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

SMILES: CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F

InChIKey: TYZROVQLWOKYKF-ZDUSSCGKSA-N

InChI: InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1

Cas#: 100986-85-4        Compound CID:  149096

Formula:  C₁₈H₂₀FN₃O₄        Molecular Weight: 361.37

IUPAC Name: (2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid

SMILES: CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O

InChIKey: GSDSWSVVBLHKDQ-JTQLQIEISA-N

InChI: InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1

Cas#: 1672-88-4        Compound CID:  6870646

Formula:  C₁₀H₈N₄O₅        Molecular Weight: 264.19

IUPAC Name: 1-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]imidazolidine-2,4-dione

SMILES: C1C(=O)NC(=O)N1N=CC=CC2=CC=C(O2)[N+](=O)[O-]

InChIKey: DECBQELQORZLLP-UAIOPKHMSA-N

InChI: InChI=1S/C10H8N4O5/c15-8-6-13(10(16)12-8)11-5-1-2-7-3-4-9(19-7)14(17)18/h1-5H,6H2,(H,12,15,16)/b2-1+,11-5+

Cas#: 122-11-2        Compound CID:  5323

Formula:  C₁₂H₁₄N₄O₄S        Molecular Weight: 310.33

IUPAC Name: 4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide

SMILES: COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)OC

InChIKey: ZZORFUFYDOWNEF-UHFFFAOYSA-N

InChI: InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)

Cas#: 63-74-1        Compound CID:  5333

Formula:  C₆H₈N₂O₂S        Molecular Weight: 172.21

IUPAC Name: 4-aminobenzenesulfonamide

SMILES: C1=CC(=CC=C1N)S(=O)(=O)N

InChIKey: FDDDEECHVMSUSB-UHFFFAOYSA-N

InChI: InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)

Cas#: 36531-26-7        Compound CID:  5281087

Formula:  C₁₃H₁₆N₂O        Molecular Weight: 216.28

IUPAC Name: 3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol

SMILES: CN1CCCN=C1C=CC2=CC(=CC=C2)O

InChIKey: VRYKTHBAWRESFI-VOTSOKGWSA-N

InChI: InChI=1S/C13H16N2O/c1-15-9-3-8-14-13(15)7-6-11-4-2-5-12(16)10-11/h2,4-7,10,16H,3,8-9H2,1H3/b7-6+

Cas#: 127045-41-4        Compound CID:  65957

Formula:  C₁₆H₁₅FN₂O₄        Molecular Weight: 318.31

IUPAC Name: (2S)-6-(1-aminocyclopropyl)-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid

SMILES: CC1COC2=C3N1C=C(C(=O)C3=CC(=C2C4(CC4)N)F)C(=O)O

InChIKey: XAGMUUZPGZWTRP-ZETCQYMHSA-N

InChI: InChI=1S/C16H15FN2O4/c1-7-6-23-14-11(16(18)2-3-16)10(17)4-8-12(14)19(7)5-9(13(8)20)15(21)22/h4-5,7H,2-3,6,18H2,1H3,(H,21,22)/t7-/m0/s1

Cas#: 15318-45-3        Compound CID:  27200

Formula:  C₁₂H₁₅Cl₂NO₅S        Molecular Weight: 356.22

IUPAC Name: 2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide

SMILES: CS(=O)(=O)C1=CC=C(C=C1)C(C(CO)NC(=O)C(Cl)Cl)O

InChIKey: OTVAEFIXJLOWRX-NXEZZACHSA-N

InChI: InChI=1S/C12H15Cl2NO5S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-16)15-12(18)11(13)14/h2-5,9-11,16-17H,6H2,1H3,(H,15,18)/t9-,10-/m1/s1

Cas#: 144-80-9        Compound CID:  5320

Formula:  C₈H₁₀N₂O₃S        Molecular Weight: 214.24

IUPAC Name: N-(4-aminophenyl)sulfonylacetamide

SMILES: CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N

InChIKey: SKIVFJLNDNKQPD-UHFFFAOYSA-N

InChI: InChI=1S/C8H10N2O3S/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)

Cas#: 148016-81-3        Compound CID:  73303

Formula:  C₁₅H₂₄N₄O₆S₂        Molecular Weight: 420.5

IUPAC Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

SMILES: CC1C2C(C(=O)N2C(=C1SC3CC(NC3)CNS(=O)(=O)N)C(=O)O)C(C)O

InChIKey: AVAACINZEOAHHE-VFZPANTDSA-N

InChI: InChI=1S/C15H24N4O6S2/c1-6-11-10(7(2)20)14(21)19(11)12(15(22)23)13(6)26-9-3-8(17-5-9)4-18-27(16,24)25/h6-11,17-18,20H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/t6-,7-,8+,9+,10-,11-/m1/s1

Cas#: 480-40-0        Compound CID:  5281607

Formula:  C₁₅H₁₀O₄        Molecular Weight: 254.24

IUPAC Name: 5,7-dihydroxy-2-phenylchromen-4-one

SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O

InChIKey: RTIXKCRFFJGDFG-UHFFFAOYSA-N

InChI: InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H