 | | HN4 | | Name: | 1-(4-tert-butylphenyl)-2-[(1S,2R,5R,8R,8aR)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone | | Formula: | C20 H29 N O4 | | SMILES: | O=C(c1ccc(cc1)C(C)(C)C)CC2N3C(C(O)CC2)C(O)C(O)C3 | | InChi: | InChI=1S/C20H29NO4/c1-20(2,3)13-6-4-12(5-7-13)16(23)10-14-8-9-15(22)18-19(25)17(24)11-21(14)18/h4-7,14-15,17-19,22,24-25H,8-11H2,1-3H3/t14-,15-,17-,18-,19-/m1/s1 | | Synonyms: | (1S,2R,5R,8R,8aR)-5-[2'-oxo-2'-(4-tert-butylphenyl)ethyl]-1,2,8-trihydroxy-indolizidine | | Definition date: | 2008-09-25 | | Last modified: | 2021-03-13 | | Identifier: | 1-(4-tert-butylphenyl)-2-[(1S,2R,5R,8R,8aR)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone |
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 | | HN6 | | Name: | (1S,2R,5R,8R,8aR)-5-[2-(4-tert-butylphenyl)ethyl]octahydroindolizine-1,2,8-triol | | Formula: | C20 H31 N O3 | | SMILES: | OC1CCC(N2C1C(O)C(O)C2)CCc3ccc(cc3)C(C)(C)C | | InChi: | InChI=1S/C20H31NO3/c1-20(2,3)14-7-4-13(5-8-14)6-9-15-10-11-16(22)18-19(24)17(23)12-21(15)18/h4-5,7-8,15-19,22-24H,6,9-12H2,1-3H3/t15-,16-,17-,18-,19-/m1/s1 | | Synonyms: | (1S,2R,5R,8R,8aR)-5-[2'-(4-tert-butylphenyl)ethyl]-1,2,8-trihydroxy-indolizidine | | Definition date: | 2008-09-25 | | Last modified: | 2021-03-13 | | Identifier: | (1S,2R,5R,8R,8aR)-5-[2-(4-tert-butylphenyl)ethyl]octahydroindolizine-1,2,8-triol |
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 | | HNT | | Name: | [(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-3-YL]METHANOL | | Formula: | C10 H12 N2 O3 | | SMILES: | [O-][N+](=O)c1ccc2c(c1)CNC(C2)CO | | InChi: | InChI=1S/C10H12N2O3/c13-6-9-3-7-1-2-10(12(14)15)4-8(7)5-11-9/h1-2,4,9,11,13H,3,5-6H2/t9-/m1/s1 | | Synonyms: | 3(R)-HYDROXYMETHYL 7-NITRO 1,2,3,4-TETRAHYDROISOQUINOLINE | | Definition date: | 2006-03-08 | | Last modified: | 2021-03-13 | | Identifier: | [(3R)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol |
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 | | HO6 | | Name: | 5-[(4-methylphenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylic acid | | Formula: | C10 H8 N2 O2 S2 | | SMILES: | O=C(O)c2nnsc2Sc1ccc(cc1)C | | InChi: | InChI=1S/C10H8N2O2S2/c1-6-2-4-7(5-3-6)15-10-8(9(13)14)11-12-16-10/h2-5H,1H3,(H,13,14) | | Synonyms: | 4-carboxy-5-[(4-chlorophenyl)sulfanyl]-1, 2, 3-thiadiazole | | Definition date: | 2011-06-22 | | Last modified: | 2021-03-13 | | Identifier: | 5-[(4-methylphenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylic acid |
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 | | HS1 | | Name: | 2-[[(2S)-2,3-dihydroxypropyl]-(4-methoxyphenyl)sulfonyl-amino]-N-oxo-ethanamide | | Formula: | C12 H16 N2 O7 S | | SMILES: | O=NC(=O)CN(S(=O)(=O)c1ccc(OC)cc1)CC(O)CO | | InChi: | InChI=1S/C12H16N2O7S/c1-21-10-2-4-11(5-3-10)22(19,20)14(6-9(16)8-15)7-12(17)13-18/h2-5,9,15-16H,6-8H2,1H3/t9-/m0/s1 | | Synonyms: | (S)-N-(2,3-dihydroxypropyl)-4-methoxy-N-(2-nitroso-2-oxoethyl)benzenesulfonamide | | Definition date: | 2008-11-04 | | Last modified: | 2021-03-13 | | Identifier: | N~2~-[(2S)-2,3-dihydroxypropyl]-N~2~-[(4-methoxyphenyl)sulfonyl]-N-oxoglycinamide |
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 | | HTH | | Name: | (2S,3R)-heptane-1,2,3-triol | | Formula: | C7 H16 O3 | | SMILES: | CCCC[CH](O)[CH](O)CO | | InChi: | InChI=1S/C7H16O3/c1-2-3-4-6(9)7(10)5-8/h6-10H,2-5H2,1H3/t6-,7+/m1/s1 | | Synonyms: | heptane-1,2,3-triol | | Definition date: | 2010-02-18 | | Last modified: | 2021-03-13 | | Identifier: | (2S,3R)-heptane-1,2,3-triol |
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 | | HU1 | | Name: | TERT-BUTYL {(1S)-2-[(1R,2S,5S)-2-({[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-2,3-DIOXOPROPYL]AMINO}CARBONYL)-6,6-DIMETHYL-3-AZABICYCLO[3.1.0]HEX-3-YL]-1-CYCLOHEXYL-2-OXOETHYL}CARBAMATE | | Formula: | C29 H46 N4 O6 | | SMILES: | O=C(N3C(C(=O)NC(C(=O)C(=O)N)CC1CCC1)C2C(C)(C2C3)C)C(NC(=O)OC(C)(C)C)C4CCCCC4 | | InChi: | InChI=1S/C29H46N4O6/c1-28(2,3)39-27(38)32-21(17-12-7-6-8-13-17)26(37)33-15-18-20(29(18,4)5)22(33)25(36)31-19(23(34)24(30)35)14-16-10-9-11-16/h16-22H,6-15H2,1-5H3,(H2,30,35)(H,31,36)(H,32,38)/t18-,19-,20-,21-,22-/m0/s1 | | Synonyms: | Ketoamide Inhibitor SCH491762, bound form | | Definition date: | 2007-01-08 | | Last modified: | 2021-03-13 | | Identifier: | tert-butyl {(1S)-2-[(1R,2S,5S)-2-{[(2S)-4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl]carbamoyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-1-cyclohexyl-2-oxoethyl}carbamate |
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 | | HU4 | | Name: | TERT-BUTYL {(1S)-2-[(1R,2S,5R)-2-({[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-2,3-DIOXOPROPYL]AMINO}CARBONYL)-7,7-DIMETHYL-6-OXA-3-AZABICYCLO[3.2.0]HEPT-3-YL]-1-CYCLOHEXYL-2-OXOETHYL}CARBAMATE | | Formula: | C29 H46 N4 O7 | | SMILES: | O=C(N3C(C(=O)NC(C(=O)C(=O)N)CC1CCC1)C2C(OC2C3)(C)C)C(NC(=O)OC(C)(C)C)C4CCCCC4 | | InChi: | InChI=1S/C29H46N4O7/c1-28(2,3)40-27(38)32-21(17-12-7-6-8-13-17)26(37)33-15-19-20(29(4,5)39-19)22(33)25(36)31-18(23(34)24(30)35)14-16-10-9-11-16/h16-22H,6-15H2,1-5H3,(H2,30,35)(H,31,36)(H,32,38)/t18-,19-,20-,21-,22-/m0/s1 | | Synonyms: | Ketoamide Inhibitor SCH571696, bound form | | Definition date: | 2007-01-09 | | Last modified: | 2021-03-13 | | Identifier: | tert-butyl {(1S)-2-[(1R,2S,5R)-2-{[(2S)-4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl]carbamoyl}-7,7-dimethyl-6-oxa-3-azabicyclo[3.2.0]hept-3-yl]-1-cyclohexyl-2-oxoethyl}carbamate |
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 | | HUD | | Name: | tert-butyl {(2S)-1-[(1R,2S,5S)-2-{[(2S,3R)-4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl]carbamoyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | | Formula: | C26 H44 N4 O6 | | SMILES: | O=C(N3C(C(=O)NC(CC1CC1)C(O)C(=O)N)C2C(C)(C2C3)C)C(NC(=O)OC(C)(C)C)C(C)(C)C | | InChi: | InChI=1S/C26H44N4O6/c1-24(2,3)19(29-23(35)36-25(4,5)6)22(34)30-12-14-16(26(14,7)8)17(30)21(33)28-15(11-13-9-10-13)18(31)20(27)32/h13-19,31H,9-12H2,1-8H3,(H2,27,32)(H,28,33)(H,29,35)/t14-,15-,16-,17-,18+,19+/m0/s1 | | Synonyms: | ketoamide inhibitor SCH476776, bound form | | Definition date: | 2007-01-08 | | Last modified: | 2021-03-13 | | Identifier: | tert-butyl {(2S)-1-[(1R,2S,5S)-2-{[(2S,3R)-4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl]carbamoyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate |
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 | | YJG | | Name: | 2-(5-chloro-6-oxopyridazin-1(6H)-yl)-N-(4-methyl-3-{[2-(pyridin-2-yl)ethyl]sulfamoyl}phenyl)acetamide | | Formula: | C20 H20 Cl N5 O4 S | | SMILES: | O=C(CN1N=CC=C(Cl)C1=O)Nc1ccc(C)c(c1)S(=O)(=O)NCCc1ccccn1 | | InChi: | InChI=1S/C20H20ClN5O4S/c1-14-5-6-16(25-19(27)13-26-20(28)17(21)8-10-23-26)12-18(14)31(29,30)24-11-7-15-4-2-3-9-22-15/h2-6,8-10,12,24H,7,11,13H2,1H3,(H,25,27) | | Definition date: | 2021-03-10 | | Last modified: | 2021-03-12 | | Release date: | 2021-03-17 | | Identifier: | 2-(5-chloro-6-oxopyridazin-1(6H)-yl)-N-(4-methyl-3-{[2-(pyridin-2-yl)ethyl]sulfamoyl}phenyl)acetamide |
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 | | Y2P | | Name: | 2-[4-[(3'R,4S)-3'-fluoro-1-[2-[(4-fluorophenyl)methyl-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]amino]-2-oxo-ethyl]-2,5-dioxo-spiro[imidazolidine-4,1'-indane]-5'-yl]pyrazol-1-yl]-N-methyl-acetamide | | Formula: | C29 H27 F5 N6 O4 | | SMILES: | N4(C(C1(CC(c2c1ccc(c2)c3cn(nc3)CC(=O)NC)F)NC4=O)=O)CC(N(Cc5ccc(cc5)F)C(C)C(F)(F)F)=O | | InChi: | InChI=1S/C29H27F5N6O4/c1-16(29(32,33)34)39(12-17-3-6-20(30)7-4-17)25(42)15-40-26(43)28(37-27(40)44)10-23(31)21-9-18(5-8-22(21)28)19-11-36-38(13-19)14-24(41)35-2/h3-9,11,13,16,23H,10,12,14-15H2,1-2H3,(H,35,41)(H,37,44)/t16-,23+,28-/m0/s1 | | Definition date: | 2021-01-29 | | Last modified: | 2021-03-12 | | Release date: | 2021-03-17 | | Identifier: | 2-[(3'R,4S)-3'-fluoro-5'-{1-[2-(methylamino)-2-oxoethyl]-1H-pyrazol-4-yl}-2,5-dioxo-2',3'-dihydro-1H-spiro[imidazolidine-4,1'-inden]-1-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide |
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 | | XN7 | | Name: | N,N~2~-bis(2-hydroxyethyl)glycinamide | | Formula: | C6 H14 N2 O3 | | SMILES: | C(CNCC(NCCO)=O)O | | InChi: | InChI=1S/C6H14N2O3/c9-3-1-7-5-6(11)8-2-4-10/h7,9-10H,1-5H2,(H,8,11) | | Definition date: | 2020-12-22 | | Last modified: | 2021-03-12 | | Release date: | 2021-03-17 | | Identifier: | N,N~2~-bis(2-hydroxyethyl)glycinamide |
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 | | HZF | | Name: | (3R,4R,5S)-4-acetamido-3-pentan-3-yloxy-5-(4-phenyl-1,2,3-triazol-1-yl)cyclohexene-1-carboxylic acid | | Formula: | C22 H28 N4 O4 | | SMILES: | CCC(CC)O[CH]1C=C(C[CH]([CH]1NC(C)=O)n2cc(nn2)c3ccccc3)C(O)=O | | InChi: | InChI=1S/C22H28N4O4/c1-4-17(5-2)30-20-12-16(22(28)29)11-19(21(20)23-14(3)27)26-13-18(24-25-26)15-9-7-6-8-10-15/h6-10,12-13,17,19-21H,4-5,11H2,1-3H3,(H,23,27)(H,28,29)/t19-,20+,21+/m0/s1 | | Definition date: | 2021-03-02 | | Last modified: | 2021-03-12 | | Release date: | 2021-03-17 | | Identifier: | (3~{R},4~{R},5~{S})-4-acetamido-3-pentan-3-yloxy-5-(4-phenyl-1,2,3-triazol-1-yl)cyclohexene-1-carboxylic acid |
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 | | WCY | | Name: | N-{4-[({(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}carbamothioyl)amino]phenyl}-1,3-thiazole-4-carboxamide | | Formula: | C21 H16 F6 N4 O S2 | | SMILES: | c3nc(C(Nc2ccc(NC(=S)NC(C)c1cc(cc(C(F)(F)F)c1)C(F)(F)F)cc2)=O)cs3 | | InChi: | InChI=1S/C21H16F6N4OS2/c1-11(12-6-13(20(22,23)24)8-14(7-12)21(25,26)27)29-19(33)31-16-4-2-15(3-5-16)30-18(32)17-9-34-10-28-17/h2-11H,1H3,(H,30,32)(H2,29,31,33)/t11-/m0/s1 | | Definition date: | 2020-10-14 | | Last modified: | 2021-03-12 | | Release date: | 2021-03-17 | | Identifier: | N-{4-[({(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}carbamothioyl)amino]phenyl}-1,3-thiazole-4-carboxamide |
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 | | WEV | | Name: | (5R)-2,4-dideoxy-1-C-{(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4E,6E,9R,10S,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl}-4-methyl-5-propan-2-yl-alpha-D-threo-pentopyranose | | Formula: | C35 H58 O9 | | SMILES: | COC1C=CC=C(CC(C)C(C(C=C(C=C(C(OC1C(C)C(O)C(C)C2(CC(O)C(C(O2)C(C)C)C)O)=O)OC)C)C)O)C | | InChi: | InChI=1S/C35H58O9/c1-19(2)32-24(7)27(36)18-35(40,44-32)26(9)31(38)25(8)33-28(41-10)14-12-13-20(3)15-22(5)30(37)23(6)16-21(4)17-29(42-11)34(39)43-33/h12-14,16-17,19,22-28,30-33,36-38,40H,15,18H2,1-11H3/b14-12+,20-13+,21-16+,29-17-/t22-,23-,24+,25+,26+,27-,28+,30+,31-,32-,33-,35-/m1/s1 | | Definition date: | 2020-10-22 | | Last modified: | 2021-03-12 | | Release date: | 2021-03-17 | | Identifier: | (5R)-2,4-dideoxy-1-C-{(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4E,6E,9R,10S,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl}-4-methyl-5-propan-2-yl-alpha-D-threo-pentopyranose |
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 | | XHM | | Name: | 6-(2-fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-5-carbonitrile | | Formula: | C26 H24 F N5 | | SMILES: | c1(cc2c(cc1C#N)cnn2c4ccc(N3CCN(C)CC3)cc4)c5c(cccc5C)F | | InChi: | InChI=1S/C26H24FN5/c1-18-4-3-5-24(27)26(18)23-15-25-20(14-19(23)16-28)17-29-32(25)22-8-6-21(7-9-22)31-12-10-30(2)11-13-31/h3-9,14-15,17H,10-13H2,1-2H3 | | Definition date: | 2020-12-17 | | Last modified: | 2021-03-12 | | Release date: | 2021-03-17 | | Identifier: | 6-(2-fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-5-carbonitrile |
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 | | XHS | | Name: | 6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-1H-pyrazolo[4,3-c]pyridine | | Formula: | C23 H23 F N6 O | | SMILES: | CN1CCN(CC1)c2cccc(n2)n3c5c(cn3)cnc(c4c(cccc4OC)F)c5 | | InChi: | InChI=1S/C23H23FN6O/c1-28-9-11-29(12-10-28)21-7-4-8-22(27-21)30-19-13-18(25-14-16(19)15-26-30)23-17(24)5-3-6-20(23)31-2/h3-8,13-15H,9-12H2,1-2H3 | | Definition date: | 2020-12-17 | | Last modified: | 2021-03-12 | | Release date: | 2021-03-17 | | Identifier: | 6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-1H-pyrazolo[4,3-c]pyridine |
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 | | XHV | | Name: | 6-(2-fluoro-6-methoxyphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridine | | Formula: | C24 H24 F N5 O | | SMILES: | CN1CCN(CC1)c2ccc(cc2)n3c5c(cn3)cnc(c4c(cccc4F)OC)c5 | | InChi: | InChI=1S/C24H24FN5O/c1-28-10-12-29(13-11-28)18-6-8-19(9-7-18)30-22-14-21(26-15-17(22)16-27-30)24-20(25)4-3-5-23(24)31-2/h3-9,14-16H,10-13H2,1-2H3 | | Definition date: | 2020-12-17 | | Last modified: | 2021-03-12 | | Release date: | 2021-03-17 | | Identifier: | 6-(2-fluoro-6-methoxyphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridine |
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 | | YHI | | Name: | benzyl (1R,2S,5S)-2-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate | | Formula: | C23 H31 N3 O5 | | SMILES: | O=C1NCCC1CC(CO)NC(=O)C1C2C(CN1C(=O)OCc1ccccc1)C2(C)C | | InChi: | InChI=1S/C23H31N3O5/c1-23(2)17-11-26(22(30)31-13-14-6-4-3-5-7-14)19(18(17)23)21(29)25-16(12-27)10-15-8-9-24-20(15)28/h3-7,15-19,27H,8-13H2,1-2H3,(H,24,28)(H,25,29)/t15-,16-,17-,18-,19-/m0/s1 | | Definition date: | 2021-03-08 | | Last modified: | 2021-03-12 | | Release date: | 2021-03-17 | | Identifier: | benzyl (1R,2S,5S)-2-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate |
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 | | YHJ | | Name: | benzyl (1S,3aR,6aS)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate | | Formula: | C23 H31 N3 O5 | | SMILES: | O=C1NCCC1CC(CO)NC(=O)C1C2CCCC2CN1C(=O)OCc1ccccc1 | | InChi: | InChI=1S/C23H31N3O5/c27-13-18(11-16-9-10-24-21(16)28)25-22(29)20-19-8-4-7-17(19)12-26(20)23(30)31-14-15-5-2-1-3-6-15/h1-3,5-6,16-20,27H,4,7-14H2,(H,24,28)(H,25,29)/t16-,17-,18-,19-,20-/m0/s1 | | Definition date: | 2021-03-08 | | Last modified: | 2021-03-12 | | Release date: | 2021-03-17 | | Identifier: | benzyl (1S,3aR,6aS)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate |
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 | | Q1W | | Name: | 2,2-dimethyl-4-oxidanylidene-pentanedioic acid | | Formula: | C7 H10 O5 | | SMILES: | CC(C)(CC(=O)C(O)=O)C(O)=O | | InChi: | InChI=1S/C7H10O5/c1-7(2,6(11)12)3-4(8)5(9)10/h3H2,1-2H3,(H,9,10)(H,11,12) | | Definition date: | 2020-05-06 | | Last modified: | 2021-03-12 | | Release date: | 2021-03-17 | | Identifier: | 2,2-dimethyl-4-oxidanylidene-pentanedioic acid |
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 | | 2RP | | Name: | (2R)-pentan-2-ol | | Formula: | C5 H12 O | | SMILES: | OC(C)CCC | | InChi: | InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3/t5-/m1/s1 | | Definition date: | 2008-04-10 | | Last modified: | 2021-03-12 | | Release date: | 2021-03-17 | | Identifier: | (2R)-pentan-2-ol |
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 | | S5W | | Name: | Macrocyclic SAFit analogue 55 | | Formula: | C41 H51 N O9 | | SMILES: | COc1ccc(CC[CH]2OC(=O)[CH]3CCCCN3C(=O)[CH](C4CCCCC4)c5cc(OC)c(OCCOc6cccc2c6)c(OC)c5)cc1OC | | InChi: | InChI=1S/C41H51NO9/c1-45-34-19-17-27(23-35(34)46-2)16-18-33-29-13-10-14-31(24-29)49-21-22-50-39-36(47-3)25-30(26-37(39)48-4)38(28-11-6-5-7-12-28)40(43)42-20-9-8-15-32(42)41(44)51-33/h10,13-14,17,19,23-26,28,32-33,38H,5-9,11-12,15-16,18,20-22H2,1-4H3/t32-,33+,38-/m0/s1 | | Definition date: | 2020-11-10 | | Last modified: | 2021-03-12 | | Release date: | 2021-03-17 |
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 | | SWJ | | Name: | 2-azanyl-~{N}-[(3~{S})-2-oxidanylidenehex-5-yn-3-yl]ethanamide | | Formula: | C8 H12 N2 O2 | | SMILES: | CC(=O)[CH](CC#C)NC(=O)CN | | InChi: | InChI=1S/C8H12N2O2/c1-3-4-7(6(2)11)10-8(12)5-9/h1,7H,4-5,9H2,2H3,(H,10,12)/t7-/m0/s1 | | Definition date: | 2020-03-12 | | Last modified: | 2021-03-12 | | Release date: | 2021-03-17 | | Identifier: | 2-azanyl-~{N}-[(3~{S})-2-oxidanylidenehex-5-yn-3-yl]ethanamide |
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 | | SZD | | Name: | 3,5-bis(fluoranyl)-~{N}-[3-[[4-(trifluoromethyloxy)phenyl]sulfamoyl]phenyl]benzamide | | Formula: | C20 H13 F5 N2 O4 S | | SMILES: | Fc1cc(F)cc(c1)C(=O)Nc2cccc(c2)[S](=O)(=O)Nc3ccc(OC(F)(F)F)cc3 | | InChi: | InChI=1S/C20H13F5N2O4S/c21-13-8-12(9-14(22)10-13)19(28)26-16-2-1-3-18(11-16)32(29,30)27-15-4-6-17(7-5-15)31-20(23,24)25/h1-11,27H,(H,26,28) | | Definition date: | 2020-03-13 | | Last modified: | 2021-03-12 | | Release date: | 2021-03-17 | | Identifier: | 3,5-bis(fluoranyl)-~{N}-[3-[[4-(trifluoromethyloxy)phenyl]sulfamoyl]phenyl]benzamide |
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