 | | P5I | | Name: | 2-[[5-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid | | Formula: | C17 H12 Cl N3 O5 | | SMILES: | OC(=O)CNC(=O)c1ncc(cc1O)c2onc(c2)c3cccc(Cl)c3 | | InChi: | InChI=1S/C17H12ClN3O5/c18-11-3-1-2-9(4-11)12-6-14(26-21-12)10-5-13(22)16(19-7-10)17(25)20-8-15(23)24/h1-7,22H,8H2,(H,20,25)(H,23,24) | | Synonyms: | (5-(3-(3-chlorophenyl)isoxazol-5-yl)-3-hydroxypicolinoyl)glycine | | Definition date: | 2023-02-28 | | Last modified: | 2024-02-23 | | Release date: | 2024-02-28 | | Identifier: | 2-[[5-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid |
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 | | V8U | | Name: | 3-[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-2-[[5-[(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid | | Formula: | C33 H38 N4 O6 | | SMILES: | CCC1=C(C)C(=O)N=C1Cc2[nH]c(Cc3[nH]c(CC4=NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C | | InChi: | InChI=1S/C33H38N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8,34-35H,2,7,9-15H2,1,3-6H3,(H,38,39)(H,40,41) | | Definition date: | 2023-02-27 | | Last modified: | 2024-02-23 | | Release date: | 2024-02-28 | | Identifier: | 3-[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-2-[[5-[(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid |
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 | | 06G | | Name: | D-myo-inositol 1,4,6-trisphosphate | | Formula: | C6 H15 O15 P3 | | SMILES: | O[CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O[P](O)(O)=O | | InChi: | InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3-,4+,5+,6+/m0/s1 | | Synonyms: | [(1R,2R,3S,4R,5S,6R)-2,3,5-tris(oxidanyl)-4,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate | | Definition date: | 2023-07-10 | | Last modified: | 2024-02-23 | | Release date: | 2024-02-28 | | Identifier: | [(1~{R},2~{R},3~{S},4~{R},5~{S},6~{R})-2,3,5-tris(oxidanyl)-4,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate |
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 | | UQ3 | | Name: | S-{(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (2R)-2-hydroxypropanethioate | | Formula: | C24 H40 N7 O18 P3 S | | SMILES: | CC(O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O | | InChi: | InChI=1S/C24H40N7O18P3S/c1-12(32)23(37)53-7-6-26-14(33)4-5-27-21(36)18(35)24(2,3)9-46-52(43,44)49-51(41,42)45-8-13-17(48-50(38,39)40)16(34)22(47-13)31-11-30-15-19(25)28-10-29-20(15)31/h10-13,16-18,22,32,34-35H,4-9H2,1-3H3,(H,26,33)(H,27,36)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/t12-,13-,16-,17-,18+,22-/m1/s1 | | Synonyms: | Lactyl-CoA | | Definition date: | 2022-08-23 | | Last modified: | 2024-02-23 | | Release date: | 2024-02-28 | | Identifier: | S-{(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (2R)-2-hydroxypropanethioate (non-preferred name) |
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 | | UZ3 | | Name: | 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-methoxy-benzamide | | Formula: | C15 H13 Cl2 N3 O3 | | SMILES: | COc1ccc(C(N)=O)c(NC(=O)Nc2cc(Cl)cc(Cl)c2)c1 | | InChi: | InChI=1S/C15H13Cl2N3O3/c1-23-11-2-3-12(14(18)21)13(7-11)20-15(22)19-10-5-8(16)4-9(17)6-10/h2-7H,1H3,(H2,18,21)(H2,19,20,22) | | Definition date: | 2023-02-15 | | Last modified: | 2024-02-23 | | Release date: | 2024-02-28 | | Identifier: | 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-methoxy-benzamide |
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 | | V19 | | Name: | 4-(4-bromophenyl)-2-[[(2~{R},3~{R},4~{R})-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2~{H}-pyran-4-yl]oxymethyl]phthalazin-1-one | | Formula: | C21 H19 Br N2 O5 | | SMILES: | OC[CH]1OC=C[CH](OCN2N=C(c3ccc(Br)cc3)c4ccccc4C2=O)[CH]1O | | InChi: | InChI=1S/C21H19BrN2O5/c22-14-7-5-13(6-8-14)19-15-3-1-2-4-16(15)21(27)24(23-19)12-29-17-9-10-28-18(11-25)20(17)26/h1-10,17-18,20,25-26H,11-12H2/t17-,18-,20-/m1/s1 | | Definition date: | 2023-02-20 | | Last modified: | 2024-02-23 | | Release date: | 2024-02-28 | | Identifier: | 4-(4-bromophenyl)-2-[[(2~{R},3~{R},4~{R})-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2~{H}-pyran-4-yl]oxymethyl]phthalazin-1-one |
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 | | V1X | | Name: | 2-[[3,5-bis(chloranyl)-2-(2-hydroxyethyl)phenyl]carbamoylamino]-4-(trifluoromethyloxy)benzamide | | Formula: | C17 H14 Cl2 F3 N3 O4 | | SMILES: | NC(=O)c1ccc(OC(F)(F)F)cc1NC(=O)Nc2cc(Cl)cc(Cl)c2CCO | | InChi: | InChI=1S/C17H14Cl2F3N3O4/c18-8-5-12(19)10(3-4-26)13(6-8)24-16(28)25-14-7-9(29-17(20,21)22)1-2-11(14)15(23)27/h1-2,5-7,26H,3-4H2,(H2,23,27)(H2,24,25,28) | | Synonyms: | 2-[[3,5-dichloro-2-(2-hydroxyethyl)phenyl]carbamoylamino]-4-(trifluoromethoxy)benzamide | | Definition date: | 2023-02-20 | | Last modified: | 2024-02-23 | | Release date: | 2024-02-28 | | Identifier: | 2-[[3,5-bis(chloranyl)-2-(2-hydroxyethyl)phenyl]carbamoylamino]-4-(trifluoromethyloxy)benzamide |
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 | | V23 | | Name: | 7-methyl-2-(trifluoromethyl)-3~{H}-[1,2,4]triazolo[1,5-a]pyridin-5-one | | Formula: | C8 H6 F3 N3 O | | SMILES: | CC1=CC(=O)N2NC(=NC2=C1)C(F)(F)F | | InChi: | InChI=1S/C8H6F3N3O/c1-4-2-5-12-7(8(9,10)11)13-14(5)6(15)3-4/h2-3H,1H3,(H,12,13) | | Definition date: | 2023-07-03 | | Last modified: | 2024-02-23 | | Release date: | 2024-02-28 | | Identifier: | 7-methyl-2-(trifluoromethyl)-3~{H}-[1,2,4]triazolo[1,5-a]pyridin-5-one |
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 | | V2F | | Name: | 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-(trifluoromethyloxy)benzamide | | Formula: | C15 H10 Cl2 F3 N3 O3 | | SMILES: | NC(=O)c1ccc(OC(F)(F)F)cc1NC(=O)Nc2cc(Cl)cc(Cl)c2 | | InChi: | InChI=1S/C15H10Cl2F3N3O3/c16-7-3-8(17)5-9(4-7)22-14(25)23-12-6-10(26-15(18,19)20)1-2-11(12)13(21)24/h1-6H,(H2,21,24)(H2,22,23,25) | | Synonyms: | 2-[(3,5-dichlorophenyl)carbamoylamino]-4-(trifluoromethoxy)benzamide | | Definition date: | 2023-02-20 | | Last modified: | 2024-02-23 | | Release date: | 2024-02-28 | | Identifier: | 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-(trifluoromethyloxy)benzamide |
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 | | V2R | | Name: | 5-fluoranyl-1,3-benzoxazol-2-amine | | Formula: | C7 H5 F N2 O | | SMILES: | Nc1oc2ccc(F)cc2n1 | | InChi: | InChI=1S/C7H5FN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10) | | Definition date: | 2023-07-04 | | Last modified: | 2024-02-23 | | Release date: | 2024-02-28 | | Identifier: | 5-fluoranyl-1,3-benzoxazol-2-amine |
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 | | XDZ | | Name: | 2-[5-bromanyl-3-[2,2,2-tris(fluoranyl)ethanoyl]indol-1-yl]-N-cycloheptyl-ethanamide | | Formula: | C19 H20 Br F3 N2 O2 | | SMILES: | FC(F)(F)C(=O)c1cn(CC(=O)NC2CCCCCC2)c3ccc(Br)cc13 | | InChi: | InChI=1S/C19H20BrF3N2O2/c20-12-7-8-16-14(9-12)15(18(27)19(21,22)23)10-25(16)11-17(26)24-13-5-3-1-2-4-6-13/h7-10,13H,1-6,11H2,(H,24,26) | | Synonyms: | Epoxykinin | | Definition date: | 2023-10-30 | | Last modified: | 2024-02-23 | | Release date: | 2024-02-28 | | Identifier: | 2-[5-bromanyl-3-[2,2,2-tris(fluoranyl)ethanoyl]indol-1-yl]-~{N}-cycloheptyl-ethanamide |
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 | | 6VO | | Name: | (3~{R},4~{S})-4-azanyl-2,6-dimethyl-heptane-2,3-diol | | Formula: | C9 H21 N O2 | | SMILES: | CC(C)C[CH](N)[CH](O)C(C)(C)O | | InChi: | InChI=1S/C9H21NO2/c1-6(2)5-7(10)8(11)9(3,4)12/h6-8,11-12H,5,10H2,1-4H3/t7-,8+/m0/s1 | | Definition date: | 2016-07-07 | | Last modified: | 2024-02-22 | | Release date: | 2016-08-17 | | Identifier: | (3~{R},4~{S})-4-azanyl-2,6-dimethyl-heptane-2,3-diol |
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 | | M7G | | Name: | 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE | | Formula: | C11 H18 N5 O11 P2 | | SMILES: | O=P(O)(O)OP(=O)(O)OCC1OC(n2c[n+](C)c3c2N=C(N)NC3=O)C(O)C1O | | InChi: | InChI=1S/C11H17N5O11P2/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(26-10)2-25-29(23,24)27-28(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H5-,12,13,14,19,20,21,22,23,24)/p+1/t4-,6-,7-,10-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-02-21 | | Identifier: | 7-methylguanosine 5'-(trihydrogen diphosphate) |
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 | | PHZ | | Name: | 1-PHENYLHYDRAZINE | | Formula: | C6 H8 N2 | | SMILES: | NNc1ccccc1 | | InChi: | InChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2 | | Synonyms: | phenyldiazane | | Definition date: | 2005-07-29 | | Last modified: | 2024-02-21 | | Identifier: | phenylhydrazine |
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 | | X1J | | Name: | 1-(5-amino-1,3-dihydro-2H-isoindol-2-yl)ethan-1-one | | Formula: | C10 H12 N2 O | | SMILES: | c2c1c(CN(C1)C(=O)C)ccc2N | | InChi: | InChI=1S/C10H12N2O/c1-7(13)12-5-8-2-3-10(11)4-9(8)6-12/h2-4H,5-6,11H2,1H3 | | Definition date: | 2020-11-20 | | Last modified: | 2024-02-20 | | Release date: | 2021-06-30 | | Identifier: | 1-(5-amino-1,3-dihydro-2H-isoindol-2-yl)ethan-1-one |
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 | | 9RN | | Name: | 3,6-anhydro-alpha-D-galactopyranose | | Formula: | C6 H10 O5 | | SMILES: | OC1OC2COC(C2O)C1O | | InChi: | InChI=1S/C6H10O5/c7-3-2-1-10-5(3)4(8)6(9)11-2/h2-9H,1H2/t2-,3+,4-,5+,6+/m1/s1 | | Definition date: | 2017-07-03 | | Last modified: | 2024-02-19 | | Release date: | 2017-10-18 | | Identifier: | 3,6-anhydro-alpha-D-galactopyranose |
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 | | 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 |
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 | | XG3 | | Name: | N-(5-chloro-2-hydroxyphenyl)-N'-[2-chloro-5-(trifluoromethyl)phenyl]urea | | Formula: | C14 H9 Cl2 F3 N2 O2 | | SMILES: | Clc1ccc(cc1NC(=O)Nc1cc(Cl)ccc1O)C(F)(F)F | | InChi: | InChI=1S/C14H9Cl2F3N2O2/c15-8-2-4-12(22)11(6-8)21-13(23)20-10-5-7(14(17,18)19)1-3-9(10)16/h1-6,22H,(H2,20,21,23) | | Definition date: | 2023-11-01 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | N-(5-chloro-2-hydroxyphenyl)-N'-[2-chloro-5-(trifluoromethyl)phenyl]urea |
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 | | 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 |
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 | | 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 |
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 | | 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 |
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 | | 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 |
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 | | 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 |
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 | | 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 |
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 | | 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 |
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