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PDI
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LOC14Cas Number: 877963-94-5Formula: C16H19N3O2S Molecular Weight: 317.41IUPAC Name: 2-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,2-benzothiazol-3-oneSMILES: C1CC1C(=O)N2CCN(CC2)CN3C(=O)C4=CC=CC=C4S3InChIKey: YVBSNHLFRIVWFQ-UHFFFAOYSA-NInChI: InChI=1S/C16H19N3O2S/c20-15(12-5-6-12)18-9-7-17(8-10-18)11-19-16(21)13-3-1-2-4-14(13)22-19/h1-4,12H,5-11H2
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PACMA 31Cas Number: 1401089-31-3 Compound CID: 66555902Formula: C21H22N2O6S Molecular Weight: 430.47IUPAC Name: ethyl 2-[[2-(2,4-dimethoxy-N-prop-2-ynoylanilino)-2-thiophen-2-ylacetyl]amino]acetateSMILES: CCOC(=O)CNC(=O)C(C1=CC=CS1)N(C2=C(C=C(C=C2)OC)OC)C(=O)C#CInChIKey: AHOOZADJPNUFOQ-UHFFFAOYSA-NInChI: InChI=1S/C21H22N2O6S/c1-5-18(24)23(15-10-9-14(27-3)12-16(15)28-4)20(17-8-7-11-30-17)21(26)22-13-19(25)29-6-2/h1,7-12,20H,6,13H2,2-4H3,(H,22,26)Synonyms: N-(2,4-Dimethoxyphenyl)-N-(1-oxo-2-propyn-1-yl)-2-(2-thienyl)glycylglycineethylester | MS-27651 | PACMA 31, >=98% (HP...
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3-methyl toxoflavinCas Number: 32502-62-8Formula: C8H9N5O2 Molecular Weight: 207.19IUPAC Name: 1,3,6-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dioneSMILES: CC1=NN(C2=NC(=O)N(C(=O)C2=N1)C)CInChIKey: CPXHNWKHOFNPDO-UHFFFAOYSA-NInChI: InChI=1S/C8H9N5O2/c1-4-9-5-6(13(3)11-4)10-8(15)12(2)7(5)14/h1-3H3Synonyms: 1,3,6-Trimethyl-pyrimido[5,4-e]-1,2,4-triazine-5,7(1H,6H)-dione | KUC104460N | Q27167181 | TRIMETHYLAMMONIUM CHLORIDE...
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CCF 642Cas Number: 346640-08-2Formula: C15H10N2O4S3 Molecular Weight: 378.45IUPAC Name: (5E)-3-(4-methoxyphenyl)-5-[(5-nitrothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-oneSMILES: COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(S3)[N+](=O)[O-])SC2=SInChIKey: SPYIETQLOVDJCF-XYOKQWHBSA-NInChI: InChI=1S/C15H10N2O4S3/c1-21-10-4-2-9(3-5-10)16-14(18)12(24-15(16)22)8-11-6-7-13(23-11)17(19)20/h2-8H,1H3/b12-8+Synonyms: 3-(4-Methoxyphenyl)-5-[(5-nitro-2-thienyl)methylene]-2-thioxo-4-thiazolidinone
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CCF 642Cas Number: 346640-08-2Formula: C15H10N2O4S3 Molecular Weight: 378.45IUPAC Name: (5E)-3-(4-methoxyphenyl)-5-[(5-nitrothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-oneSMILES: COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(S3)[N+](=O)[O-])SC2=SInChIKey: SPYIETQLOVDJCF-XYOKQWHBSA-NInChI: InChI=1S/C15H10N2O4S3/c1-21-10-4-2-9(3-5-10)16-14(18)12(24-15(16)22)8-11-6-7-13(23-11)17(19)20/h2-8H,1H3/b12-8+Synonyms: 3-(4-Methoxyphenyl)-5-[(5-nitro-2-thienyl)methylene]-2-thioxo-4-thiazolidinone
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G6PDi-1Cas Number: 2457232-14-1Formula: C14H12N4OS Molecular Weight: 284.34IUPAC Name: 4-[(5-oxo-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-2-yl)amino]thiophene-2-carbonitrileSMILES: C1CCC(=O)C2=CN=C(N=C2C1)NC3=CSC(=C3)C#NInChIKey: USWCHVCZOGGQQA-UHFFFAOYSA-NInChI: InChI=1S/C14H12N4OS/c15-6-10-5-9(8-20-10)17-14-16-7-11-12(18-14)3-1-2-4-13(11)19/h5,7-8H,1-4H2,(H,16,17,18)Synonyms: 4-(6,7,8,9-tetrahydro-5-oxo-5H-cyclohepta[d]pyrimidin-2-ylamino)thiophene-2-carbonitrile
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LOC14Cas Number: 877963-94-5Formula: C16H19N3O2S Molecular Weight: 317.41IUPAC Name: 2-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,2-benzothiazol-3-oneSMILES: C1CC1C(=O)N2CCN(CC2)CN3C(=O)C4=CC=CC=C4S3InChIKey: YVBSNHLFRIVWFQ-UHFFFAOYSA-NInChI: InChI=1S/C16H19N3O2S/c20-15(12-5-6-12)18-9-7-17(8-10-18)11-19-16(21)13-3-1-2-4-14(13)22-19/h1-4,12H,5-11H2
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ML359Cas Number: 1069858-99-6 Compound CID: 146018836Formula: C23H28ClNO4 Molecular Weight: 417.93IUPAC Name: N-ethyl-N-(7-methoxy-1-methylpyrazolo[3,4-b]quinolin-3-yl)furan-2-carboxamideSMILES: CCN(C1=NN(C2=C1C=C3C=CC(=CC3=N2)OC)C)C(=O)C4=CC=CO4InChIKey: GKJQVQCIPPIODP-UHFFFAOYSA-NInChI: InChI=1S/C19H18N4O3/c1-4-23(19(24)16-6-5-9-26-16)18-14-10-12-7-8-13(25-3)11-15(12)20-17(14)22(2)21-18/h5-11H,4H2,1-3H3Synonyms: N-ethyl-N-(7-methoxy-1-methylpyrazolo[3,4-b]quinolin-3-yl)furan-2-carboxamide
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P1Cas Number: 1461648-55-4 Compound CID: 91826082Formula: C30H37N3O7S Molecular Weight: 583.7IUPAC Name: [4-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-oxo-3-(pent-4-ynylamino)propyl]phenyl] ethenesulfonateSMILES: CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=C(C=C2)OS(=O)(=O)C=C)C(=O)NCCCC#CInChIKey: RNMDSOKRNOMQFX-UIOOFZCWSA-NInChI: show moreSynonyms: N-[(1,1-Dimethylethoxy)carbonyl]-L-phenylalanyl-O-(ethenylsulfonyl)-N-4-pentyn-1-yl-L-tyrosinamide
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Ribostamycin sulfateCas Number: 53797-35-6 Compound CID: 656837Formula: C17H34N4O10·xH2SO4 Molecular Weight: 552.55(free basis)IUPAC Name: show moreSMILES: C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)N)OC3C(C(C(O3)CO)O)O)O)N.OS(=O)(=O)OInChIKey: RTCDDYYZMGGHOE-YMSVYGIHSA-NInChI: show moreSynonyms: Vistamycin Sulfate | QFN1QU7PEN | CHEBI:10003 | Ribostamin | IBISTACIN | ribostamycin A sulfate | Ribostamycin sulfat...
