 | | 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 |
|
 | | 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 |
|
 | | VP1 | | Name: | Fluorenylmethyloxycarbonyl chloride | | Formula: | C15 H11 Cl O2 | | SMILES: | ClC(=O)OCC1c2ccccc2c3ccccc13 | | InChi: | InChI=1S/C15H11ClO2/c16-15(17)18-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9H2 | | Definition date: | 2023-03-22 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | 9~{H}-fluoren-9-ylmethyl carbonochloridate |
|
 | | YKF | | Name: | methyl 2-formyl-2-[3-methyl-4-(3-phenoxybenzamido)phenyl]hydrazine-1-carboxylate | | Formula: | C23 H21 N3 O5 | | SMILES: | O=C(OC)NN(C=O)c1ccc(NC(=O)c2cc(Oc3ccccc3)ccc2)c(C)c1 | | InChi: | InChI=1S/C23H21N3O5/c1-16-13-18(26(15-27)25-23(29)30-2)11-12-21(16)24-22(28)17-7-6-10-20(14-17)31-19-8-4-3-5-9-19/h3-15H,1-2H3,(H,24,28)(H,25,29) | | Definition date: | 2023-02-09 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | methyl 2-formyl-2-[3-methyl-4-(3-phenoxybenzamido)phenyl]hydrazine-1-carboxylate |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | YLR | | Name: | (3aR,4S,9bS)-4-(naphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide | | Formula: | C22 H20 N2 O2 S | | SMILES: | NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)c1cccc2ccccc21 | | InChi: | InChI=1S/C22H20N2O2S/c23-27(25,26)15-11-12-21-20(13-15)17-8-4-10-19(17)22(24-21)18-9-3-6-14-5-1-2-7-16(14)18/h1-9,11-13,17,19,22,24H,10H2,(H2,23,25,26)/t17-,19+,22+/m0/s1 | | Definition date: | 2023-12-05 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | (3aR,4S,9bS)-4-(naphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide |
|
 | | 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 |
|
 | | YM9 | | Name: | (5M)-5-(2-chloro-5-fluoro-4-methylphenyl)-1H-benzimidazole-7-carboxylic acid | | Formula: | C15 H10 Cl F N2 O2 | | SMILES: | Fc1cc(c2cc3nc[NH]c3c(c2)C(=O)O)c(Cl)cc1C | | InChi: | InChI=1S/C15H10ClFN2O2/c1-7-2-11(16)9(5-12(7)17)8-3-10(15(20)21)14-13(4-8)18-6-19-14/h2-6H,1H3,(H,18,19)(H,20,21) | | Definition date: | 2023-02-09 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | (5M)-5-(2-chloro-5-fluoro-4-methylphenyl)-1H-benzimidazole-7-carboxylic acid |
|
 | | YME | | Name: | (2P)-8-chloro-2-(2-hydroxyphenyl)quinoline-4-carboxylic acid | | Formula: | C16 H10 Cl N O3 | | SMILES: | O=C(O)c1cc(nc2c(Cl)cccc12)c1ccccc1O | | InChi: | InChI=1S/C16H10ClNO3/c17-12-6-3-5-9-11(16(20)21)8-13(18-15(9)12)10-4-1-2-7-14(10)19/h1-8,19H,(H,20,21) | | Definition date: | 2023-02-09 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | (2P)-8-chloro-2-(2-hydroxyphenyl)quinoline-4-carboxylic acid |
|
 | | YMI | | Name: | 3-(4-fluorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid | | Formula: | C11 H9 F N2 O2 | | SMILES: | Cn1nc(cc1C(=O)O)c1ccc(F)cc1 | | InChi: | InChI=1S/C11H9FN2O2/c1-14-10(11(15)16)6-9(13-14)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,15,16) | | Definition date: | 2023-02-09 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | 3-(4-fluorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid |
|
 | | 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 |
|
 | | YMO | | Name: | (8S)-2-{[(3-fluoro[1,1'-biphenyl]-4-yl)methyl]amino}-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one | | Formula: | C21 H20 F N5 O | | SMILES: | Fc1cc(ccc1CNc1nc2NC(=CC(=O)n2n1)CCC)c1ccccc1 | | InChi: | InChI=1S/C21H20FN5O/c1-2-6-17-12-19(28)27-21(24-17)25-20(26-27)23-13-16-10-9-15(11-18(16)22)14-7-4-3-5-8-14/h3-5,7-12H,2,6,13H2,1H3,(H2,23,24,25,26) | | Definition date: | 2023-02-09 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | (8S)-2-{[(3-fluoro[1,1'-biphenyl]-4-yl)methyl]amino}-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
|
 | | YMT | | Name: | (6M)-2-benzyl-6-(2-chloro-4-methylphenyl)-2H-indazole-4-carboxylic acid | | Formula: | C22 H17 Cl N2 O2 | | SMILES: | O=C(O)c1cc(cc2nn(cc12)Cc1ccccc1)c1ccc(C)cc1Cl | | InChi: | InChI=1S/C22H17ClN2O2/c1-14-7-8-17(20(23)9-14)16-10-18(22(26)27)19-13-25(24-21(19)11-16)12-15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,26,27) | | Definition date: | 2023-02-09 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | (6M)-2-benzyl-6-(2-chloro-4-methylphenyl)-2H-indazole-4-carboxylic acid |
|
 | | Y5C | | Name: | 4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoic acid | | Formula: | C17 H17 F N4 O3 | | SMILES: | O=C(O)c1ccc(cc1F)CCCCn1ccc2N=C(N)NC(=O)c21 | | InChi: | InChI=1S/C17H17FN4O3/c18-12-9-10(4-5-11(12)16(24)25)3-1-2-7-22-8-6-13-14(22)15(23)21-17(19)20-13/h4-6,8-9H,1-3,7H2,(H,24,25)(H3,19,20,21,23) | | Definition date: | 2023-06-12 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | 4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoic acid |
|
 | | 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 |
|
 | | XOB | | Name: | 1-[[(3~{R})-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-oxidanyl-thieno[3,2-d]pyrimidine-2,4-dione | | Formula: | C15 H12 N2 O5 S | | SMILES: | ON1C(=O)N(C[CH]2COc3ccccc3O2)c4ccsc4C1=O | | InChi: | InChI=1S/C15H12N2O5S/c18-14-13-10(5-6-23-13)16(15(19)17(14)20)7-9-8-21-11-3-1-2-4-12(11)22-9/h1-6,9,20H,7-8H2/t9-/m1/s1 | | Definition date: | 2023-06-08 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | 1-[[(3~{R})-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-oxidanyl-thieno[3,2-d]pyrimidine-2,4-dione |
|
 | | 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 |
|
