 | | WIG | | Name: | 6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-3-[(4-fluorophenyl)methyl]-5-methyl-1,2,3-benzotriazin-4-one | | Formula: | C21 H18 F N5 O3 | | SMILES: | Cn1nc(C)c(c1O)C(=O)c2ccc3N=NN(Cc4ccc(F)cc4)C(=O)c3c2C | | InChi: | InChI=1S/C21H18FN5O3/c1-11-15(19(28)18-12(2)24-26(3)20(18)29)8-9-16-17(11)21(30)27(25-23-16)10-13-4-6-14(22)7-5-13/h4-9,29H,10H2,1-3H3 | | Definition date: | 2023-10-04 | | Last modified: | 2024-09-27 | | Release date: | 2024-10-02 | | Identifier: | 6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-3-[(4-fluorophenyl)methyl]-5-methyl-1,2,3-benzotriazin-4-one |
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 | | LXF | | Name: | N-{4-[(2-phenylethyl)sulfamoyl]-1,3-benzothiazol-2-yl}acetamide | | Formula: | C17 H17 N3 O3 S2 | | SMILES: | O=S(=O)(NCCc1ccccc1)c1cccc2sc(nc12)NC(C)=O | | InChi: | InChI=1S/C17H17N3O3S2/c1-12(21)19-17-20-16-14(24-17)8-5-9-15(16)25(22,23)18-11-10-13-6-3-2-4-7-13/h2-9,18H,10-11H2,1H3,(H,19,20,21) | | Definition date: | 2023-08-15 | | Last modified: | 2024-09-27 | | Release date: | 2023-11-08 | | Identifier: | N-{4-[(2-phenylethyl)sulfamoyl]-1,3-benzothiazol-2-yl}acetamide |
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 | | KQ9 | | Name: | 1-[(dimethylamino)methyl]cyclobutan-1-amine | | Formula: | C7 H16 N2 | | SMILES: | CN(C)CC1(N)CCC1 | | InChi: | InChI=1S/C7H16N2/c1-9(2)6-7(8)4-3-5-7/h3-6,8H2,1-2H3 | | Definition date: | 2022-06-01 | | Last modified: | 2024-09-27 | | Release date: | 2022-12-07 | | Identifier: | 1-[(dimethylamino)methyl]cyclobutan-1-amine |
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 | | NJR | | Name: | 2-chloranyl-N-[[1-[2-[(4-chlorophenyl)amino]-2-methyl-propanoyl]piperidin-4-yl]methyl]ethanamide | | Formula: | C18 H25 Cl2 N3 O2 | | SMILES: | CC(C)(Nc1ccc(Cl)cc1)C(=O)N2CCC(CC2)CNC(=O)CCl | | InChi: | InChI=1S/C18H25Cl2N3O2/c1-18(2,22-15-5-3-14(20)4-6-15)17(25)23-9-7-13(8-10-23)12-21-16(24)11-19/h3-6,13,22H,7-12H2,1-2H3,(H,21,24) | | Synonyms: | prop-2-en-1-yl 7-O-carbamoyl-L-glycero-alpha-D-manno-heptoside | | Definition date: | 2022-08-17 | | Last modified: | 2024-09-27 | | Release date: | 2023-09-20 | | Identifier: | 2-chloranyl-~{N}-[[1-[2-[(4-chlorophenyl)amino]-2-methyl-propanoyl]piperidin-4-yl]methyl]ethanamide |
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 | | UG2 | | Name: | [4-(2-phenylimidazol-1-yl)phenyl]methanol | | Formula: | C16 H14 N2 O | | SMILES: | OCc1ccc(cc1)n2ccnc2c3ccccc3 | | InChi: | InChI=1S/C16H14N2O/c19-12-13-6-8-15(9-7-13)18-11-10-17-16(18)14-4-2-1-3-5-14/h1-11,19H,12H2 | | Definition date: | 2021-02-16 | | Last modified: | 2024-09-27 | | Release date: | 2021-06-16 | | Identifier: | [4-(2-phenylimidazol-1-yl)phenyl]methanol |
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 | | SGB | | Name: | O-[(S)-METHYL(1-METHYLETHOXY)PHOSPHORYL]-L-SERINE | | Formula: | C7 H16 N O5 P | | SMILES: | O=P(OCC(N)C(=O)O)(OC(C)C)C | | InChi: | InChI=1S/C7H16NO5P/c1-5(2)13-14(3,11)12-4-6(8)7(9)10/h5-6H,4,8H2,1-3H3,(H,9,10)/t6-,14-/m0/s1 | | Definition date: | 2007-02-13 | | Last modified: | 2024-09-27 | | Identifier: | O-[(S)-methyl(1-methylethoxy)phosphoryl]-L-serine |
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 | | Y3R | | Name: | ethyl 4-oxo-4-(2-{3-[2-({(1S)-1-[(3P)-3-(thiophen-3-yl)phenyl]ethyl}carbamoyl)phenyl]propanoyl}hydrazinyl)butanoate | | Formula: | C28 H31 N3 O5 S | | SMILES: | O=C(OCC)CCC(=O)NNC(=O)CCc1ccccc1C(=O)NC(C)c1cccc(c1)c1ccsc1 | | InChi: | InChI=1S/C28H31N3O5S/c1-3-36-27(34)14-13-26(33)31-30-25(32)12-11-20-7-4-5-10-24(20)28(35)29-19(2)21-8-6-9-22(17-21)23-15-16-37-18-23/h4-10,15-19H,3,11-14H2,1-2H3,(H,29,35)(H,30,32)(H,31,33) | | Definition date: | 2023-11-17 | | Last modified: | 2024-09-27 | | Release date: | 2024-04-03 | | Identifier: | ethyl 4-oxo-4-(2-{3-[2-({(1S)-1-[(3P)-3-(thiophen-3-yl)phenyl]ethyl}carbamoyl)phenyl]propanoyl}hydrazinyl)butanoate |
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 | | KBE | | Name: | beta-lysine | | Formula: | C6 H14 N2 O2 | | SMILES: | NCCC[CH](N)CC(O)=O | | InChi: | InChI=1S/C6H14N2O2/c7-3-1-2-5(8)4-6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1 | | Synonyms: | (3S)-3,6-diaminohexanoic acid | | Definition date: | 2010-02-05 | | Last modified: | 2024-09-27 | | Identifier: | (3S)-3,6-bis(azanyl)hexanoic acid |
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 | | SGE | | Name: | 13-methyl-13,14-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridine | | Formula: | C20 H15 N O4 | | SMILES: | CN1Cc2c3OCOc3ccc2c4ccc5cc6OCOc6cc5c14 | | InChi: | InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3 | | Definition date: | 2010-02-21 | | Last modified: | 2024-09-27 |
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 | | UG5 | | Name: | 4-[4-(trifluoromethyl)imidazol-1-yl]benzaldehyde | | Formula: | C11 H7 F3 N2 O | | SMILES: | FC(F)(F)c1cn(cn1)c2ccc(C=O)cc2 | | InChi: | InChI=1S/C11H7F3N2O/c12-11(13,14)10-5-16(7-15-10)9-3-1-8(6-17)2-4-9/h1-7H | | Definition date: | 2021-02-16 | | Last modified: | 2024-09-27 | | Release date: | 2021-06-16 | | Identifier: | 4-[4-(trifluoromethyl)imidazol-1-yl]benzaldehyde |
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 | | XBW | | Name: | ~{N}-(phenylmethyl)pyridine-2-carboxamide | | Formula: | C13 H12 N2 O | | SMILES: | O=C(NCc1ccccc1)c2ccccn2 | | InChi: | InChI=1S/C13H12N2O/c16-13(12-8-4-5-9-14-12)15-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16) | | Definition date: | 2023-06-06 | | Last modified: | 2024-09-27 | | Release date: | 2024-06-12 | | Identifier: | ~{N}-(phenylmethyl)pyridine-2-carboxamide |
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 | | S0Z | | Name: | methyl (R)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamido)-2-phenylacetate | | Formula: | C17 H16 B N O5 | | SMILES: | COC(=O)[CH](NC(=O)c1ccc2COB(O)c2c1)c3ccccc3 | | InChi: | InChI=1S/C17H16BNO5/c1-23-17(21)15(11-5-3-2-4-6-11)19-16(20)12-7-8-13-10-24-18(22)14(13)9-12/h2-9,15,22H,10H2,1H3,(H,19,20)/t15-/m1/s1 | | Synonyms: | methyl (2R)-2-[(1-oxidanyl-3H-2,1-benzoxaborol-6-yl)carbonylamino]-2-phenyl-ethanoate | | Definition date: | 2020-11-04 | | Last modified: | 2024-09-27 | | Release date: | 2021-08-11 | | Identifier: | methyl (2~{R})-2-[(1-oxidanyl-3~{H}-2,1-benzoxaborol-6-yl)carbonylamino]-2-phenyl-ethanoate |
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 | | ZIN | | Name: | 7-(pyridin-2-ylmethyl)quinolin-8-ol | | Formula: | C15 H12 N2 O | | SMILES: | Oc1c(ccc2cccnc12)Cc3ncccc3 | | InChi: | InChI=1S/C15H12N2O/c18-15-12(10-13-5-1-2-8-16-13)7-6-11-4-3-9-17-14(11)15/h1-9,18H,10H2 | | Definition date: | 2009-09-15 | | Last modified: | 2024-09-27 | | Identifier: | 7-(pyridin-2-ylmethyl)quinolin-8-ol |
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 | | KQI | | Name: | 6-azido-N-[(2S)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-phenyl-propan-2-yl]hexanamide | | Formula: | C19 H27 N5 O4 | | SMILES: | C[CH](O)[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)CCCCCN=[N+]=[N-])C=O | | InChi: | InChI=1S/C19H27N5O4/c1-14(26)17(13-25)23-19(28)16(12-15-8-4-2-5-9-15)22-18(27)10-6-3-7-11-21-24-20/h2,4-5,8-9,13-14,16-17,26H,3,6-7,10-12H2,1H3,(H,22,27)(H,23,28)/t14-,16+,17-/m1/s1 | | Synonyms: | Beta-lactone antibacterial agent (open form) | | Definition date: | 2022-06-02 | | Last modified: | 2024-09-27 | | Release date: | 2022-11-02 | | Identifier: | 6-azido-~{N}-[(2~{S})-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-phenyl-propan-2-yl]hexanamide |
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 | | NYQ | | Name: | 5-bromanyl-1,3-dihydroindol-2-one | | Formula: | C8 H6 Br N O | | SMILES: | Brc1ccc2NC(=O)Cc2c1 | | InChi: | InChI=1S/C8H6BrNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11) | | Definition date: | 2020-01-10 | | Last modified: | 2024-09-27 | | Release date: | 2020-11-25 | | Identifier: | 5-bromanyl-1,3-dihydroindol-2-one |
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 | | ODZ | | Name: | 2-(4-hydroxyphenyl)-~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]ethanamide | | Formula: | C14 H17 N O4 | | SMILES: | C[C](CC(O)=C)(NC(=O)Cc1ccc(O)cc1)C=O | | InChi: | InChI=1S/C14H17NO4/c1-10(17)8-14(2,9-16)15-13(19)7-11-3-5-12(18)6-4-11/h3-6,9,17-18H,1,7-8H2,2H3,(H,15,19)/t14-/m0/s1 | | Definition date: | 2020-02-28 | | Last modified: | 2024-09-27 | | Release date: | 2020-06-24 | | Identifier: | 2-(4-hydroxyphenyl)-~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]ethanamide |
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 | | Y3T | | Name: | N-(3-chloro-4-fluorophenyl)-3-[4-(dimethylamino)butanamido]-4-methoxybenzamide | | Formula: | C20 H23 Cl F N3 O3 | | SMILES: | Fc1ccc(NC(=O)c2ccc(OC)c(NC(=O)CCCN(C)C)c2)cc1Cl | | InChi: | InChI=1S/C20H23ClFN3O3/c1-25(2)10-4-5-19(26)24-17-11-13(6-9-18(17)28-3)20(27)23-14-7-8-16(22)15(21)12-14/h6-9,11-12H,4-5,10H2,1-3H3,(H,23,27)(H,24,26) | | Definition date: | 2023-01-03 | | Last modified: | 2024-09-27 | | Release date: | 2024-02-28 | | Identifier: | N-(3-chloro-4-fluorophenyl)-3-[4-(dimethylamino)butanamido]-4-methoxybenzamide |
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 | | WIO | | Name: | (1R,2S)-2-[(N-{[2-(3-fluorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | | Formula: | C24 H36 F N3 O9 S | | SMILES: | CC(C)CC(NC(=O)OCC(C)(C)Oc1cccc(F)c1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | | InChi: | InChI=1S/C24H36FN3O9S/c1-14(2)10-18(28-23(32)36-13-24(3,4)37-17-7-5-6-16(25)12-17)21(30)27-19(22(31)38(33,34)35)11-15-8-9-26-20(15)29/h5-7,12,14-15,18-19,22,31H,8-11,13H2,1-4H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t15-,18-,19-,22+/m0/s1 | | Definition date: | 2022-09-13 | | Last modified: | 2024-09-27 | | Release date: | 2022-09-21 | | Identifier: | (1R,2S)-2-[(N-{[2-(3-fluorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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 | | SUH | | Name: | (2S)-2-methylbutanedioic acid | | Formula: | C5 H8 O4 | | SMILES: | O=C(O)CC(C(=O)O)C | | InChi: | InChI=1S/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9)/t3-/m0/s1 | | Definition date: | 2014-07-28 | | Last modified: | 2024-09-27 | | Release date: | 2014-08-20 | | Identifier: | (2S)-2-methylbutanedioic acid |
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 | | YHA | | Name: | Homocitrulline | | Formula: | C7 H15 N3 O3 | | SMILES: | NC(CCCCNC(N)=O)C(=O)O | | InChi: | InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m0/s1 | | Synonyms: | N~6~-carbamoyl-L-lysine | | Definition date: | 2021-03-04 | | Last modified: | 2024-09-27 | | Release date: | 2022-05-25 | | Identifier: | N~6~-carbamoyl-L-lysine |
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 | | U2M | | Name: | (2S)-2-amino-7-sulfanylheptanoic acid | | Formula: | C7 H15 N O2 S | | SMILES: | NC(C(O)=O)CCCCCS | | InChi: | InChI=1S/C7H15NO2S/c8-6(7(9)10)4-2-1-3-5-11/h6,11H,1-5,8H2,(H,9,10)/t6-/m0/s1 | | Definition date: | 2020-04-09 | | Last modified: | 2024-09-27 | | Release date: | 2021-04-21 | | Identifier: | (2S)-2-amino-7-sulfanylheptanoic acid |
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 | | SUI | | Name: | (3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACID | | Formula: | C6 H8 N2 O4 | | SMILES: | O=C1N(C(=O)CC1N)CC(=O)O | | InChi: | InChI=1S/C6H8N2O4/c7-3-1-4(9)8(6(3)12)2-5(10)11/h3H,1-2,7H2,(H,10,11)/t3-/m0/s1 | | Definition date: | 2001-08-20 | | Last modified: | 2024-09-27 | | Identifier: | [(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]acetic acid |
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 | | LXO | | Name: | 4-(pyridin-4-ylamino)butanoic acid | | Formula: | C9 H12 N2 O2 | | SMILES: | OC(=O)CCCNc1ccncc1 | | InChi: | InChI=1S/C9H12N2O2/c12-9(13)2-1-5-11-8-3-6-10-7-4-8/h3-4,6-7H,1-2,5H2,(H,10,11)(H,12,13) | | Definition date: | 2022-12-16 | | Last modified: | 2024-09-27 | | Release date: | 2023-12-13 | | Identifier: | 4-(pyridin-4-ylamino)butanoic acid |
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 | | SGH | | Name: | 1-[4-methyl-3-(trifluoromethyl)phenyl]-2-phenyl-imidazole | | Formula: | C17 H13 F3 N2 | | SMILES: | Cc1ccc(cc1C(F)(F)F)n2ccnc2c3ccccc3 | | InChi: | InChI=1S/C17H13F3N2/c1-12-7-8-14(11-15(12)17(18,19)20)22-10-9-21-16(22)13-5-3-2-4-6-13/h2-11H,1H3 | | Definition date: | 2020-11-16 | | Last modified: | 2024-09-27 | | Release date: | 2021-06-16 | | Identifier: | 1-[4-methyl-3-(trifluoromethyl)phenyl]-2-phenyl-imidazole |
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 | | UG8 | | Name: | 4-piperidin-1-ylsulfonylbenzaldehyde | | Formula: | C12 H15 N O3 S | | SMILES: | O=Cc1ccc(cc1)[S](=O)(=O)N2CCCCC2 | | InChi: | InChI=1S/C12H15NO3S/c14-10-11-4-6-12(7-5-11)17(15,16)13-8-2-1-3-9-13/h4-7,10H,1-3,8-9H2 | | Definition date: | 2021-02-16 | | Last modified: | 2024-09-27 | | Release date: | 2021-06-09 | | Identifier: | 4-piperidin-1-ylsulfonylbenzaldehyde |
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