 | | A1LYF | | Name: | (3~{Z},6~{S})-3-(1~{H}-imidazol-4-ylmethylidene)-6-propan-2-yl-piperazine-2,5-dione | | Formula: | C11 H14 N4 O2 | | SMILES: | CC(C)[CH]1NC(=O)C(NC1=O)=Cc2c[nH]cn2 | | InChi: | InChI=1S/C11H14N4O2/c1-6(2)9-11(17)14-8(10(16)15-9)3-7-4-12-5-13-7/h3-6,9H,1-2H3,(H,12,13)(H,14,17)(H,15,16)/b8-3-/t9-/m0/s1 | | Definition date: | 2024-02-16 | | Last modified: | 2025-01-31 | | Release date: | 2025-02-05 | | Identifier: | (3~{Z},6~{S})-3-(1~{H}-imidazol-4-ylmethylidene)-6-propan-2-yl-piperazine-2,5-dione |
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 | | X8C | | Name: | 1-[2,6-bis(chloranyl)phenyl]carbonyl-4-[[2,6-bis(chloranyl)phenyl]carbonylamino]-N-piperidin-4-yl-pyrazole-3-carboxamide | | Formula: | C23 H19 Cl4 N5 O3 | | SMILES: | Clc1cccc(Cl)c1C(=O)Nc2cn(nc2C(=O)NC3CCNCC3)C(=O)c4c(Cl)cccc4Cl | | InChi: | InChI=1S/C23H19Cl4N5O3/c24-13-3-1-4-14(25)18(13)21(33)30-17-11-32(23(35)19-15(26)5-2-6-16(19)27)31-20(17)22(34)29-12-7-9-28-10-8-12/h1-6,11-12,28H,7-10H2,(H,29,34)(H,30,33) | | Synonyms: | 4-(2,6-dichlorobenzamido)-1-(2,6-dichlorobenzoyl)-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide | | Definition date: | 2023-07-25 | | Last modified: | 2025-01-31 | | Release date: | 2025-02-05 | | Identifier: | 1-[2,6-bis(chloranyl)phenyl]carbonyl-4-[[2,6-bis(chloranyl)phenyl]carbonylamino]-~{N}-piperidin-4-yl-pyrazole-3-carboxamide |
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 | | XRK | | Name: | methyl 3-{(1R,3S,3aS,13R)-8-[(2S,3S,4R)-5-{[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-2,3,4-trihydroxypentyl]-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,4,5,6,8-hexahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-3-yl}benzoate (non-preferred name) | | Formula: | C38 H45 N9 O18 P2 | | SMILES: | O=C(OC)c1cccc(c1)C1CC(O)N2c3cc(C)c(C)cc3N(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C3=NC(=O)NC(=O)C123 | | InChi: | InChI=1S/C38H45N9O18P2/c1-16-7-21-22(8-17(16)2)47-26(50)10-20(18-5-4-6-19(9-18)34(54)61-3)38(47)35(43-37(56)44-36(38)55)45(21)11-23(48)28(51)24(49)12-62-66(57,58)65-67(59,60)63-13-25-29(52)30(53)33(64-25)46-15-42-27-31(39)40-14-41-32(27)46/h4-9,14-15,20,23-26,28-30,33,48-53H,10-13H2,1-3H3,(H,57,58)(H,59,60)(H2,39,40,41)(H,44,55,56)/t20-,23-,24+,25+,26+,28-,29+,30+,33+,38-/m0/s1 | | Definition date: | 2023-11-08 | | Last modified: | 2025-01-31 | | Release date: | 2025-02-05 | | Identifier: | methyl 3-{(1R,3S,3aS,13R)-8-[(2S,3S,4R)-5-{[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-2,3,4-trihydroxypentyl]-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,4,5,6,8-hexahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-3-yl}benzoate (non-preferred name) |
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 | | PTR | | Name: | O-PHOSPHOTYROSINE | | Formula: | C9 H12 N O6 P | | SMILES: | O=P(Oc1ccc(cc1)CC(C(=O)O)N)(O)O | | InChi: | InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1 | | Synonyms: | PHOSPHONOTYROSINE | | Definition date: | 1999-07-08 | | Last modified: | 2025-01-30 | | Identifier: | O-phosphono-L-tyrosine |
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 | | 0GJ | | Name: | L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide | | Formula: | C14 H28 Cl N6 O5 | | SMILES: | O=C(NC(CCCNC(=[NH2+])N)C(O)CCl)CNC(=O)C(N)CCC(=O)O | | InChi: | InChI=1S/C14H27ClN6O5/c15-6-10(22)9(2-1-5-19-14(17)18)21-11(23)7-20-13(26)8(16)3-4-12(24)25/h8-10,22H,1-7,16H2,(H,20,26)(H,21,23)(H,24,25)(H4,17,18,19)/p+1/t8-,9-,10+/m0/s1 | | Definition date: | 2008-10-08 | | Last modified: | 2025-01-30 | | Identifier: | L-alpha-glutamyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]glycinamide |
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 | | 8YG | | Name: | Ginsenoside Rh2 | | Formula: | C36 H62 O8 | | SMILES: | CC(C)=CCC[C](C)(O)[CH]1CC[C]2(C)[CH]1[CH](O)C[CH]3[C]4(C)CC[CH](O[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O)C(C)(C)[CH]4CC[C]23C | | InChi: | InChI=1S/C36H62O8/c1-20(2)10-9-14-36(8,42)21-11-16-35(7)27(21)22(38)18-25-33(5)15-13-26(32(3,4)24(33)12-17-34(25,35)6)44-31-30(41)29(40)28(39)23(19-37)43-31/h10,21-31,37-42H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,26-,27-,28+,29-,30+,31-,33-,34+,35+,36-/m0/s1 | | Synonyms: | (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-oxidanyl-hept-5-en-2-yl]-12-oxidanyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol | | Definition date: | 2021-12-28 | | Last modified: | 2025-01-30 | | Release date: | 2025-01-29 | | Identifier: | (2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[[(3~{S},5~{R},8~{R},9~{R},10~{R},12~{R},13~{R},14~{R},17~{S})-4,4,8,10,14-pentamethyl-17-[(2~{S})-6-methyl-2-oxidanyl-hept-5-en-2-yl]-12-oxidanyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol |
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 | | AR6 | | Name: | [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL[HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | | Formula: | C15 H23 N5 O14 P2 | | SMILES: | O=P(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)(O)OP(=O)(O)OCC4OC(O)C(O)C4O | | InChi: | InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15+/m1/s1 | | Synonyms: | Adenosine-5-Diphosphoribose | | Definition date: | 2009-08-10 | | Last modified: | 2025-01-29 | | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5S)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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 | | QA8 | | Name: | (3~{R})-3-ethyl-2-oxidanylidene-pentanedioic acid | | Formula: | C7 H10 O5 | | SMILES: | CC[CH](CC(O)=O)C(=O)C(O)=O | | InChi: | InChI=1S/C7H10O5/c1-2-4(3-5(8)9)6(10)7(11)12/h4H,2-3H2,1H3,(H,8,9)(H,11,12)/t4-/m1/s1 | | Synonyms: | 3-ethyl-2-oxoglutarate | | Definition date: | 2020-05-29 | | Last modified: | 2025-01-27 | | Release date: | 2021-03-17 | | Identifier: | (3~{R})-3-ethyl-2-oxidanylidene-pentanedioic acid |
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 | | A1AZ7 | | Name: | Nystatin | | Formula: | C47 H75 N O17 | | SMILES: | O=C(O)C1C(O)CC2(O)CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C(O)C(C)C=CC=CCCC=CC=CC=CC=CC(OC3OC(C)C(O)C(N)C3O)CC1O2 | | InChi: | InChI=1S/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-36(53)35(52)20-19-31(49)21-32(50)22-33(51)23-39(55)62-29(3)28(2)42(27)56/h5-6,8,10-18,27-38,40-44,46,49-54,56-58,61H,7,9,19-26,48H2,1-4H3,(H,59,60)/b6-5+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33+,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1 | | Synonyms: | (1S,3R,4R,7R,9R,11R,15S,16R,17R,18S,19E,21E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid | | Definition date: | 2024-07-29 | | Last modified: | 2025-01-24 | | Release date: | 2025-01-29 | | Identifier: | (1S,3R,4R,7R,9R,11R,15S,16R,17R,18S,19E,21E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid |
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 | | A1BHF | | Name: | 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-9-({4-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]phenyl}methyl)-7-(2,2,2-trifluoroethyl)-7,9-dihydro-8H-purin-8-imine | | Formula: | C27 H23 F6 N9 O | | SMILES: | FC(F)(F)c1nc(n(C)c1)c1ccc(cc1)CN1c2nc(ncc2N(CC(F)(F)F)C1=N)c1c(ncnc1OC)C1CC1 | | InChi: | InChI=1S/C27H23F6N9O/c1-40-11-18(27(31,32)33)38-22(40)16-5-3-14(4-6-16)10-41-23-17(42(25(41)34)12-26(28,29)30)9-35-21(39-23)19-20(15-7-8-15)36-13-37-24(19)43-2/h3-6,9,11,13,15,34H,7-8,10,12H2,1-2H3 | | Definition date: | 2024-11-14 | | Last modified: | 2025-01-24 | | Release date: | 2025-01-29 | | Identifier: | 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-9-({4-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]phenyl}methyl)-7-(2,2,2-trifluoroethyl)-7,9-dihydro-8H-purin-8-imine |
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 | | A1ECN | | Name: | (3~{S})-1,2-diazinane-3-carboxylic acid | | Formula: | C5 H10 N2 O2 | | SMILES: | OC(=O)[CH]1CCCNN1 | | InChi: | InChI=1S/C5H10N2O2/c8-5(9)4-2-1-3-6-7-4/h4,6-7H,1-3H2,(H,8,9)/t4-/m0/s1 | | Synonyms: | (S)-Hexahydropyridazine-3-carboxylic acid | | Definition date: | 2024-09-29 | | Last modified: | 2025-01-24 | | Release date: | 2025-01-29 | | Identifier: | (3~{S})-1,2-diazinane-3-carboxylic acid |
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 | | A1EIY | | Name: | (1R)-1-(3,4-dichlorophenyl)-2,2,2-tris(fluoranyl)ethanol | | Formula: | C8 H5 Cl2 F3 O | | SMILES: | O[CH](c1ccc(Cl)c(Cl)c1)C(F)(F)F | | InChi: | InChI=1S/C8H5Cl2F3O/c9-5-2-1-4(3-6(5)10)7(14)8(11,12)13/h1-3,7,14H/t7-/m1/s1 | | Synonyms: | (R)-1-(3,4-dichlorophenyl)-2,2,2-trifluoroethanol | | Definition date: | 2025-01-02 | | Last modified: | 2025-01-24 | | Release date: | 2025-01-29 | | Identifier: | (1~{R})-1-(3,4-dichlorophenyl)-2,2,2-tris(fluoranyl)ethanol |
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 | | A1EIZ | | Name: | (1R)-1-(2-chlorophenyl)-2,2,2-tris(fluoranyl)ethanol | | Formula: | C8 H6 Cl F3 O | | SMILES: | O[CH](c1ccccc1Cl)C(F)(F)F | | InChi: | InChI=1S/C8H6ClF3O/c9-6-4-2-1-3-5(6)7(13)8(10,11)12/h1-4,7,13H/t7-/m1/s1 | | Synonyms: | (1R)-1-(2-chlorophenyl)-2,2,2-trifluoroethan-1-ol | | Definition date: | 2025-01-02 | | Last modified: | 2025-01-24 | | Release date: | 2025-01-29 | | Identifier: | (1~{R})-1-(2-chlorophenyl)-2,2,2-tris(fluoranyl)ethanol |
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 | | A1H16 | | Name: | [6-methyl-5-oxidanylidene-4-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazol-5-yl)methyl]-4~{H}-pyridin-3-yl]methyl dihydrogen phosphate | | Formula: | C11 H11 N2 O6 P S2 | | SMILES: | Cc1ncc(CO[P](O)(O)=O)c(C=C2SC(=S)NC2=O)c1O | | InChi: | InChI=1S/C11H11N2O6PS2/c1-5-9(14)7(2-8-10(15)13-11(21)22-8)6(3-12-5)4-19-20(16,17)18/h2-3,14H,4H2,1H3,(H,13,15,21)(H2,16,17,18)/b8-2- | | Definition date: | 2024-01-12 | | Last modified: | 2025-01-24 | | Release date: | 2025-01-29 | | Identifier: | [6-methyl-5-oxidanyl-4-[(~{Z})-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridin-3-yl]methyl dihydrogen phosphate |
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 | | A1H1U | | Name: | 2-[(3~{R})-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]ethanoic acid | | Formula: | C9 H9 B O4 | | SMILES: | OB1O[CH](CC(O)=O)c2ccccc12 | | InChi: | InChI=1S/C9H9BO4/c11-9(12)5-8-6-3-1-2-4-7(6)10(13)14-8/h1-4,8,13H,5H2,(H,11,12)/t8-/m1/s1 | | Synonyms: | 4'-methylflavone | | Definition date: | 2024-01-05 | | Last modified: | 2025-01-24 | | Release date: | 2025-01-29 | | Identifier: | 2-[(3~{R})-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]ethanoic acid |
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 | | A1H1Y | | Name: | (2~{R},3~{R},4~{S},5~{R},6~{R})-~{N}-[3,5-bis(chloranyl)phenyl]-6-(hydroxymethyl)-3-methoxy-5-oxidanyl-~{N}-[(1~{S},2~{S})-2-oxidanylcyclopentyl]-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-2-carboxamide | | Formula: | C27 H27 Cl2 F3 N4 O6 | | SMILES: | CO[CH]1[CH](O[CH](CO)[CH](O)[CH]1n2cc(nn2)c3cc(F)c(F)c(F)c3)C(=O)N([CH]4CCC[CH]4O)c5cc(Cl)cc(Cl)c5 | | InChi: | InChI=1S/C27H27Cl2F3N4O6/c1-41-25-23(35-10-18(33-34-35)12-5-16(30)22(32)17(31)6-12)24(39)21(11-37)42-26(25)27(40)36(19-3-2-4-20(19)38)15-8-13(28)7-14(29)9-15/h5-10,19-21,23-26,37-39H,2-4,11H2,1H3/t19-,20-,21+,23-,24-,25+,26+/m0/s1 | | Definition date: | 2024-01-09 | | Last modified: | 2025-01-24 | | Release date: | 2025-01-29 | | Identifier: | (2~{R},3~{R},4~{S},5~{R},6~{R})-~{N}-[3,5-bis(chloranyl)phenyl]-6-(hydroxymethyl)-3-methoxy-5-oxidanyl-~{N}-[(1~{S},2~{S})-2-oxidanylcyclopentyl]-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-2-carboxamide |
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 | | A1H2Q | | Name: | (2~{R},3~{R},4~{S},5~{R},6~{R})-4-[4-[4-chloranyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-[[1-[(3~{R},4~{S})-3-fluoranyloxan-4-yl]-1,2,3-triazol-4-yl]methyl]-2-(hydroxymethyl)-5-methoxy-oxan-3-ol | | Formula: | C23 H26 Cl F3 N6 O5 | | SMILES: | CO[CH]1[CH](Cc2cn(nn2)[CH]3CCOC[CH]3F)O[CH](CO)[CH](O)[CH]1n4cc(nn4)c5ccc(Cl)c(F)c5F | | InChi: | InChI=1S/C23H26ClF3N6O5/c1-36-23-17(6-11-7-32(30-28-11)16-4-5-37-10-14(16)25)38-18(9-34)22(35)21(23)33-8-15(29-31-33)12-2-3-13(24)20(27)19(12)26/h2-3,7-8,14,16-18,21-23,34-35H,4-6,9-10H2,1H3/t14-,16-,17+,18+,21-,22-,23-/m0/s1 | | Definition date: | 2024-01-22 | | Last modified: | 2025-01-24 | | Release date: | 2025-01-29 | | Identifier: | (2~{R},3~{R},4~{S},5~{R},6~{R})-4-[4-[4-chloranyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-[[1-[(3~{R},4~{S})-3-fluoranyloxan-4-yl]-1,2,3-triazol-4-yl]methyl]-2-(hydroxymethyl)-5-methoxy-oxan-3-ol |
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 | | A1H2R | | Name: | (2~{R},3~{R},4~{S},5~{R},6~{R})-4-[4-[4-chloranyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-[[1-[(3~{S},4~{S})-4-fluoranyloxolan-3-yl]-1,2,3-triazol-4-yl]methyl]-2-(hydroxymethyl)-5-methoxy-oxan-3-ol | | Formula: | C22 H24 Cl F3 N6 O5 | | SMILES: | CO[CH]1[CH](Cc2cn(nn2)[CH]3COC[CH]3F)O[CH](CO)[CH](O)[CH]1n4cc(nn4)c5ccc(Cl)c(F)c5F | | InChi: | InChI=1S/C22H24ClF3N6O5/c1-35-22-16(4-10-5-31(29-27-10)15-9-36-8-13(15)24)37-17(7-33)21(34)20(22)32-6-14(28-30-32)11-2-3-12(23)19(26)18(11)25/h2-3,5-6,13,15-17,20-22,33-34H,4,7-9H2,1H3/t13-,15+,16-,17-,20+,21+,22+/m1/s1 | | Definition date: | 2024-01-22 | | Last modified: | 2025-01-24 | | Release date: | 2025-01-29 | | Identifier: | (2~{R},3~{R},4~{S},5~{R},6~{R})-4-[4-[4-chloranyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-[[1-[(3~{S},4~{S})-4-fluoranyloxolan-3-yl]-1,2,3-triazol-4-yl]methyl]-2-(hydroxymethyl)-5-methoxy-oxan-3-ol |
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 | | A1L2Z | | Name: | 7-Hydroxy-4-methoxymethylcoumarin | | Formula: | C11 H10 O4 | | SMILES: | COCC1=CC(=O)Oc2cc(O)ccc12 | | InChi: | InChI=1S/C11H10O4/c1-14-6-7-4-11(13)15-10-5-8(12)2-3-9(7)10/h2-5,12H,6H2,1H3 | | Synonyms: | 4-(methoxymethyl)-7-oxidanyl-chromen-2-one | | Definition date: | 2024-07-12 | | Last modified: | 2025-01-24 | | Release date: | 2025-01-29 | | Identifier: | 4-(methoxymethyl)-7-oxidanyl-chromen-2-one |
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 | | A1L31 | | Name: | ~{N}-(2-azanyl-2-sulfanylidene-ethyl)-2-[3-[3-(dimethylcarbamoyl)-6-fluoranyl-imidazo[1,2-a]pyridin-2-yl]azetidin-1-yl]quinoline-4-carboxamide | | Formula: | C25 H24 F N7 O2 S | | SMILES: | CN(C)C(=O)c1n2cc(F)ccc2nc1C3CN(C3)c4cc(C(=O)NCC(N)=S)c5ccccc5n4 | | InChi: | InChI=1S/C25H24FN7O2S/c1-31(2)25(35)23-22(30-20-8-7-15(26)13-33(20)23)14-11-32(12-14)21-9-17(24(34)28-10-19(27)36)16-5-3-4-6-18(16)29-21/h3-9,13-14H,10-12H2,1-2H3,(H2,27,36)(H,28,34) | | Definition date: | 2024-08-26 | | Last modified: | 2025-01-24 | | Release date: | 2025-01-29 | | Identifier: | ~{N}-(2-azanyl-2-sulfanylidene-ethyl)-2-[3-[3-(dimethylcarbamoyl)-6-fluoranyl-imidazo[1,2-a]pyridin-2-yl]azetidin-1-yl]quinoline-4-carboxamide |
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 | | OJN | | Name: | 1-(2-azanylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-~{N}-[(4-methylsulfanylphenyl)methyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide | | Formula: | C29 H33 N5 O2 S | | SMILES: | COc1ccc(CN2CCc3n(CCN)nc(C(=O)NCc4ccc(SC)cc4)c3C2)c5ccccc15 | | InChi: | InChI=1S/C29H33N5O2S/c1-36-27-12-9-21(23-5-3-4-6-24(23)27)18-33-15-13-26-25(19-33)28(32-34(26)16-14-30)29(35)31-17-20-7-10-22(37-2)11-8-20/h3-12H,13-19,30H2,1-2H3,(H,31,35) | | Synonyms: | 1-(2-azanylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-[(4-methylsulfanylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide | | Definition date: | 2022-09-12 | | Last modified: | 2025-01-24 | | Release date: | 2025-01-29 | | Identifier: | 1-(2-azanylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-~{N}-[(4-methylsulfanylphenyl)methyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide |
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 | | A1A4Y | | Name: | 3-(methanesulfonyl)propan-1-amine | | Formula: | C4 H11 N O2 S | | SMILES: | NCCCS(C)(=O)=O | | InChi: | InChI=1S/C4H11NO2S/c1-8(6,7)4-2-3-5/h2-5H2,1H3 | | Definition date: | 2024-09-05 | | Last modified: | 2025-01-24 | | Release date: | 2025-01-29 | | Identifier: | 3-(methanesulfonyl)propan-1-amine |
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 | | A1A5P | | Name: | 6-cyclopropyl-2,4-dimethyl-3-{[4-(trifluoromethyl)phenyl]methyl}-2,6-dihydro-7H-pyrazolo[3,4-c]pyridin-7-one | | Formula: | C19 H18 F3 N3 O | | SMILES: | FC(F)(F)c1ccc(cc1)Cc1c2C(C)=CN(C(=O)c2nn1C)C1CC1 | | InChi: | InChI=1S/C19H18F3N3O/c1-11-10-25(14-7-8-14)18(26)17-16(11)15(24(2)23-17)9-12-3-5-13(6-4-12)19(20,21)22/h3-6,10,14H,7-9H2,1-2H3 | | Definition date: | 2024-09-10 | | Last modified: | 2025-01-24 | | Release date: | 2025-01-29 | | Identifier: | 6-cyclopropyl-2,4-dimethyl-3-{[4-(trifluoromethyl)phenyl]methyl}-2,6-dihydro-7H-pyrazolo[3,4-c]pyridin-7-one |
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 | | A1A8P | | Name: | 2-[3-[[2-azanyl-7-[(5-chloranyl-1-benzofuran-2-yl)methyl]-6-oxidanylidene-1~{H}-purin-9-yl]methyl]phenyl]ethylphosphonic acid | | Formula: | C23 H22 Cl N5 O5 P | | SMILES: | O=P(O)(O)CCc1cccc(c1)Cn1c[n+](Cc2cc3cc(Cl)ccc3o2)c2C(=O)NC(N)=Nc21 | | InChi: | InChI=1S/C23H21ClN5O5P/c24-17-4-5-19-16(9-17)10-18(34-19)12-28-13-29(21-20(28)22(30)27-23(25)26-21)11-15-3-1-2-14(8-15)6-7-35(31,32)33/h1-5,8-10,13H,6-7,11-12H2,(H4-,25,26,27,30,31,32,33)/p+1 | | Definition date: | 2024-09-20 | | Last modified: | 2025-01-24 | | Release date: | 2025-01-29 | | Identifier: | 2-amino-7-[(5-chloro-1-benzofuran-2-yl)methyl]-6-oxo-9-{[3-(2-phosphonoethyl)phenyl]methyl}-6,9-dihydro-1H-purin-7-ium |
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 | | A1A8U | | Name: | (2aS,4aR,10bS,11S,12R)-4a-(2,2-difluoroethyl)-16-hydroxy-2-methyl-2,2a,3,4,4a,5,6,10b-octahydrobenzo[h]pyrido[1',2':1,6][1,2,4]triazino[2,3-a]quinoline-1,15-dione | | Formula: | C22 H23 F2 N3 O3 | | SMILES: | FC(F)CC12CCc3ccccc3C2N2N3C=CC(=O)C(O)=C3C(=O)N(C)C2CC1 | | InChi: | InChI=1S/C22H23F2N3O3/c1-25-17-7-10-22(12-16(23)24)9-6-13-4-2-3-5-14(13)20(22)27(17)26-11-8-15(28)19(29)18(26)21(25)30/h2-5,8,11,16-17,20,29H,6-7,9-10,12H2,1H3/t17-,20+,22+/m0/s1 | | Definition date: | 2024-09-20 | | Last modified: | 2025-01-24 | | Release date: | 2025-01-29 | | Identifier: | (2aS,4aR,10bS,11S,12R)-4a-(2,2-difluoroethyl)-16-hydroxy-2-methyl-2,2a,3,4,4a,5,6,10b-octahydrobenzo[h]pyrido[1',2':1,6][1,2,4]triazino[2,3-a]quinoline-1,15-dione |
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