 | | UF3 | | Name: | 9-chloranyl-1,4-dihydropyrazino[2,3-c]quinoline-2,3-dione | | Formula: | C11 H6 Cl N3 O2 | | SMILES: | Clc1ccc2ncc3NC(=O)C(=O)Nc3c2c1 | | InChi: | InChI=1S/C11H6ClN3O2/c12-5-1-2-7-6(3-5)9-8(4-13-7)14-10(16)11(17)15-9/h1-4H,(H,14,16)(H,15,17) | | Definition date: | 2023-02-03 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | 9-chloranyl-1,4-dihydropyrazino[2,3-c]quinoline-2,3-dione |
|
 | | ZHX | | Name: | ~{N}-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-methyl-butanamide | | Formula: | C16 H21 N3 O2 | | SMILES: | CC(C)CC(=O)NC1=C(C)N(C)N(C1=O)c2ccccc2 | | InChi: | InChI=1S/C16H21N3O2/c1-11(2)10-14(20)17-15-12(3)18(4)19(16(15)21)13-8-6-5-7-9-13/h5-9,11H,10H2,1-4H3,(H,17,20) | | Definition date: | 2023-06-23 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | ~{N}-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-methyl-butanamide |
|
 | | YTU | | Name: | (8S)-2-{[([1,1'-biphenyl]-4-yl)methyl]amino}-5-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one | | Formula: | C19 H14 F3 N5 O | | SMILES: | FC(F)(F)C1=CC(=O)n2nc(nc2N1)NCc1ccc(cc1)c1ccccc1 | | InChi: | InChI=1S/C19H14F3N5O/c20-19(21,22)15-10-16(28)27-18(24-15)25-17(26-27)23-11-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-10H,11H2,(H2,23,24,25,26) | | Definition date: | 2023-02-21 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | (8S)-2-{[([1,1'-biphenyl]-4-yl)methyl]amino}-5-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
|
 | | YU2 | | Name: | (3P)-3-{3-[(5-bromo-2-hydroxybenzamido)methyl]phenyl}-1-methyl-1H-pyrazole-5-carboxylic acid | | Formula: | C19 H16 Br N3 O4 | | SMILES: | Cn1nc(cc1C(=O)O)c1cc(CNC(=O)c2cc(Br)ccc2O)ccc1 | | InChi: | InChI=1S/C19H16BrN3O4/c1-23-16(19(26)27)9-15(22-23)12-4-2-3-11(7-12)10-21-18(25)14-8-13(20)5-6-17(14)24/h2-9,24H,10H2,1H3,(H,21,25)(H,26,27) | | Definition date: | 2023-02-21 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | (3P)-3-{3-[(5-bromo-2-hydroxybenzamido)methyl]phenyl}-1-methyl-1H-pyrazole-5-carboxylic acid |
|
 | | YU6 | | Name: | (5M)-2-[(4-benzylpiperazin-1-yl)methyl]-5-(2-chloro-4-methylphenyl)-1H-benzimidazole-7-carboxylic acid | | Formula: | C27 H27 Cl N4 O2 | | SMILES: | Cc1ccc(c(Cl)c1)c1cc2nc([NH]c2c(c1)C(=O)O)CN1CCN(CC1)Cc1ccccc1 | | InChi: | InChI=1S/C27H27ClN4O2/c1-18-7-8-21(23(28)13-18)20-14-22(27(33)34)26-24(15-20)29-25(30-26)17-32-11-9-31(10-12-32)16-19-5-3-2-4-6-19/h2-8,13-15H,9-12,16-17H2,1H3,(H,29,30)(H,33,34) | | Definition date: | 2023-02-21 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | (5M)-2-[(4-benzylpiperazin-1-yl)methyl]-5-(2-chloro-4-methylphenyl)-1H-benzimidazole-7-carboxylic acid |
|
 | | UFI | | Name: | 6-methoxy-2-oxidanyl-benzo[de]isoquinoline-1,3-dione | | Formula: | C13 H9 N O4 | | SMILES: | COc1ccc2C(=O)N(O)C(=O)c3cccc1c23 | | InChi: | InChI=1S/C13H9NO4/c1-18-10-6-5-9-11-7(10)3-2-4-8(11)12(15)14(17)13(9)16/h2-6,17H,1H3 | | Definition date: | 2023-02-03 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | 6-methoxy-2-oxidanyl-benzo[de]isoquinoline-1,3-dione |
|
 | | YUB | | Name: | (8R)-2-{[(2-chlorophenyl)methyl]amino}-5-[(2-fluoroanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one | | Formula: | C19 H16 Cl F N6 O | | SMILES: | Fc1ccccc1NCC1=CC(=O)n2nc(nc2N1)NCc1ccccc1Cl | | InChi: | InChI=1S/C19H16ClFN6O/c20-14-6-2-1-5-12(14)10-23-18-25-19-24-13(9-17(28)27(19)26-18)11-22-16-8-4-3-7-15(16)21/h1-9,22H,10-11H2,(H2,23,24,25,26) | | Definition date: | 2023-02-21 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | (8R)-2-{[(2-chlorophenyl)methyl]amino}-5-[(2-fluoroanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
|
 | | YUF | | Name: | (5M)-5-(2-chloro-4-methylphenyl)-1-phenyl-1H-benzimidazole-7-carboxylic acid | | Formula: | C21 H15 Cl N2 O2 | | SMILES: | Cc1ccc(c2cc3ncn(c3c(c2)C(=O)O)c2ccccc2)c(Cl)c1 | | InChi: | InChI=1S/C21H15ClN2O2/c1-13-7-8-16(18(22)9-13)14-10-17(21(25)26)20-19(11-14)23-12-24(20)15-5-3-2-4-6-15/h2-12H,1H3,(H,25,26) | | Definition date: | 2023-02-21 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | (5M)-5-(2-chloro-4-methylphenyl)-1-phenyl-1H-benzimidazole-7-carboxylic acid |
|
 | | YUO | | Name: | (5M)-5-(2-chloro-4-methylphenyl)-1-{3-[(methanesulfonyl)amino]propyl}-1H-benzimidazole-7-carboxylic acid | | Formula: | C19 H20 Cl N3 O4 S | | SMILES: | Cc1ccc(c2cc3ncn(CCCNS(C)(=O)=O)c3c(c2)C(=O)O)c(Cl)c1 | | InChi: | InChI=1S/C19H20ClN3O4S/c1-12-4-5-14(16(20)8-12)13-9-15(19(24)25)18-17(10-13)21-11-23(18)7-3-6-22-28(2,26)27/h4-5,8-11,22H,3,6-7H2,1-2H3,(H,24,25) | | Definition date: | 2023-02-21 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | (5M)-5-(2-chloro-4-methylphenyl)-1-{3-[(methanesulfonyl)amino]propyl}-1H-benzimidazole-7-carboxylic acid |
|
 | | UG0 | | Name: | 6-fluoranyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide | | Formula: | C14 H13 F N2 O | | SMILES: | Cc1ccc(CNC(=O)c2ccc(F)nc2)cc1 | | InChi: | InChI=1S/C14H13FN2O/c1-10-2-4-11(5-3-10)8-17-14(18)12-6-7-13(15)16-9-12/h2-7,9H,8H2,1H3,(H,17,18) | | Definition date: | 2023-02-03 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | 6-fluoranyl-~{N}-[(4-methylphenyl)methyl]pyridine-3-carboxamide |
|
 | | UHL | | Name: | 5-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine | | Formula: | C5 H9 N3 O2 | | SMILES: | COCCc1oc(N)nn1 | | InChi: | InChI=1S/C5H9N3O2/c1-9-3-2-4-7-8-5(6)10-4/h2-3H2,1H3,(H2,6,8) | | Definition date: | 2023-02-03 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | 5-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine |
|
 | | UHR | | Name: | [(2R)-oxan-2-yl]methanamine | | Formula: | C6 H13 N O | | SMILES: | NC[CH]1CCCCO1 | | InChi: | InChI=1S/C6H13NO/c7-5-6-3-1-2-4-8-6/h6H,1-5,7H2/t6-/m1/s1 | | Definition date: | 2023-02-06 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | [(2~{R})-oxan-2-yl]methanamine |
|
 | | UI4 | | Name: | 4-pyridin-2-ylphenol | | Formula: | C11 H9 N O | | SMILES: | Oc1ccc(cc1)c2ccccn2 | | InChi: | InChI=1S/C11H9NO/c13-10-6-4-9(5-7-10)11-3-1-2-8-12-11/h1-8,13H | | Definition date: | 2023-02-06 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | 4-pyridin-2-ylphenol |
|
 | | UI7 | | Name: | N-[3-(hydroxymethyl)phenyl]ethanamide | | Formula: | C9 H11 N O2 | | SMILES: | CC(=O)Nc1cccc(CO)c1 | | InChi: | InChI=1S/C9H11NO2/c1-7(12)10-9-4-2-3-8(5-9)6-11/h2-5,11H,6H2,1H3,(H,10,12) | | Definition date: | 2023-02-06 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | ~{N}-[3-(hydroxymethyl)phenyl]ethanamide |
|
 | | U4R | | Name: | (2E)-but-2-en-1-yl dihydrogen phosphate | | Formula: | C4 H9 O4 P | | SMILES: | O=P(O)(O)OCC=CC | | InChi: | InChI=1S/C4H9O4P/c1-2-3-4-8-9(5,6)7/h2-3H,4H2,1H3,(H2,5,6,7)/b3-2+ | | Definition date: | 2023-08-30 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | (2E)-but-2-en-1-yl dihydrogen phosphate |
|
 | | UID | | Name: | ethyl (E)-3-(4-aminophenyl)prop-2-enoate | | Formula: | C11 H13 N O2 | | SMILES: | CCOC(=O)C=Cc1ccc(N)cc1 | | InChi: | InChI=1S/C11H13NO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8H,2,12H2,1H3/b8-5+ | | Definition date: | 2023-02-06 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | ethyl (~{E})-3-(4-aminophenyl)prop-2-enoate |
|
 | | UIS | | Name: | N-[3-(diethylamino)phenyl]ethanamide | | Formula: | C12 H18 N2 O | | SMILES: | CCN(CC)c1cccc(NC(C)=O)c1 | | InChi: | InChI=1S/C12H18N2O/c1-4-14(5-2)12-8-6-7-11(9-12)13-10(3)15/h6-9H,4-5H2,1-3H3,(H,13,15) | | Definition date: | 2023-02-06 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | ~{N}-[3-(diethylamino)phenyl]ethanamide |
|
 | | WOX | | Name: | (5~{S})-9-[[2,6-bis(fluoranyl)phenyl]methyl]-3-(3-methylthiophen-2-yl)-1-oxa-2,9-diazaspiro[4.5]dec-2-en-10-one | | Formula: | C19 H18 F2 N2 O2 S | | SMILES: | Cc1ccsc1C2=NO[C]3(CCCN(Cc4c(F)cccc4F)C3=O)C2 | | InChi: | InChI=1S/C19H18F2N2O2S/c1-12-6-9-26-17(12)16-10-19(25-22-16)7-3-8-23(18(19)24)11-13-14(20)4-2-5-15(13)21/h2,4-6,9H,3,7-8,10-11H2,1H3/t19-/m0/s1 | | Definition date: | 2023-10-10 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | (5~{S})-9-[[2,6-bis(fluoranyl)phenyl]methyl]-3-(3-methylthiophen-2-yl)-1-oxa-2,9-diazaspiro[4.5]dec-2-en-10-one |
|
 | | UIV | | Name: | ~{N}-methyl-~{N}-[(1-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide | | Formula: | C13 H21 N3 O | | SMILES: | Cn1cc(CN(C)C(=O)C2CCCCC2)cn1 | | InChi: | InChI=1S/C13H21N3O/c1-15(9-11-8-14-16(2)10-11)13(17)12-6-4-3-5-7-12/h8,10,12H,3-7,9H2,1-2H3 | | Definition date: | 2023-02-06 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | ~{N}-methyl-~{N}-[(1-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide |
|
 | | WP2 | | Name: | (5~{S})-7-[[2,6-bis(fluoranyl)phenyl]methyl]-3-(3-methylthiophen-2-yl)-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one | | Formula: | C18 H16 F2 N2 O2 S | | SMILES: | Cc1ccsc1C2=NO[C]3(CCN(Cc4c(F)cccc4F)C3=O)C2 | | InChi: | InChI=1S/C18H16F2N2O2S/c1-11-5-8-25-16(11)15-9-18(24-21-15)6-7-22(17(18)23)10-12-13(19)3-2-4-14(12)20/h2-5,8H,6-7,9-10H2,1H3/t18-/m0/s1 | | Definition date: | 2023-10-10 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | (5~{S})-7-[[2,6-bis(fluoranyl)phenyl]methyl]-3-(3-methylthiophen-2-yl)-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one |
|
 | | U5O | | Name: | (2E)-2-methylbut-2-en-1-yl dihydrogen phosphate | | Formula: | C5 H11 O4 P | | SMILES: | O=P(O)(O)OCC(C)=CC | | InChi: | InChI=1S/C5H11O4P/c1-3-5(2)4-9-10(6,7)8/h3H,4H2,1-2H3,(H2,6,7,8)/b5-3+ | | Definition date: | 2023-08-30 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | (2E)-2-methylbut-2-en-1-yl dihydrogen phosphate |
|
 | | U69 | | Name: | 2-cyclopentylideneethyl dihydrogen phosphate | | Formula: | C7 H13 O4 P | | SMILES: | O=P(O)(O)OCC=C1CCCC1 | | InChi: | InChI=1S/C7H13O4P/c8-12(9,10)11-6-5-7-3-1-2-4-7/h5H,1-4,6H2,(H2,8,9,10) | | Definition date: | 2023-08-30 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | 2-cyclopentylideneethyl dihydrogen phosphate |
|
 | | UK6 | | Name: | sclareol | | Formula: | C20 H36 O2 | | SMILES: | CC1(C)CCC[C]2(C)[CH]1CC[C](C)(O)[CH]2CC[C](C)(O)C=C | | InChi: | InChI=1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3/t15-,16+,18-,19-,20+/m0/s1 | | Synonyms: | (1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-[(3R)-3-methyl-3-oxidanyl-pent-4-enyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol | | Definition date: | 2023-02-06 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | (1~{R},2~{R},4~{a}~{S},8~{a}~{S})-2,5,5,8~{a}-tetramethyl-1-[(3~{R})-3-methyl-3-oxidanyl-pent-4-enyl]-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-2-ol |
|
 | | YLI | | Name: | (3aR,4S,9bS)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide | | Formula: | C18 H17 Br N2 O2 S | | SMILES: | NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)c1ccc(Br)cc1 | | InChi: | InChI=1S/C18H17BrN2O2S/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(24(20,22)23)8-9-17(16)21-18/h1-2,4-10,14-15,18,21H,3H2,(H2,20,22,23)/t14-,15+,18+/m0/s1 | | Definition date: | 2023-12-05 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | (3aR,4S,9bS)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide |
|
 | | U7M | | Name: | 1-butyl-3-(4-sulfamoylphenyl)urea | | Formula: | C11 H17 N3 O3 S | | SMILES: | CCCCNC(=O)Nc1ccc(cc1)[S](N)(=O)=O | | InChi: | InChI=1S/C11H17N3O3S/c1-2-3-8-13-11(15)14-9-4-6-10(7-5-9)18(12,16)17/h4-7H,2-3,8H2,1H3,(H2,12,16,17)(H2,13,14,15) | | Synonyms: | 4-(3-butylureido)benzenesulfonamide | | Definition date: | 2023-01-27 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | 1-butyl-3-(4-sulfamoylphenyl)urea |
|
