| F3L | Name: | 4-[(3~{S},4~{S})-4-(aminomethyl)-1-(5-chloranylpyridin-2-yl)sulfonyl-4-oxidanyl-pyrrolidin-3-yl]oxy-2-fluoranyl-benzenecarbonitrile | Formula: | C17 H16 Cl F N4 O4 S | SMILES: | NC[C]1(O)CN(C[CH]1Oc2ccc(C#N)c(F)c2)[S](=O)(=O)c3ccc(Cl)cn3 | InChi: | InChI=1S/C17H16ClFN4O4S/c18-12-2-4-16(22-7-12)28(25,26)23-8-15(17(24,9-21)10-23)27-13-3-1-11(6-20)14(19)5-13/h1-5,7,15,24H,8-10,21H2/t15-,17-/m0/s1 | Synonyms: | 4-[(3S,4S)-4-(aminomethyl)-1-(5-chloropyridin-2-yl)sulfonyl-4-hydroxypyrrolidin-3-yl]oxy-2-fluorobenzonitrile | Definition date: | 2023-06-27 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 4-[(3~{S},4~{S})-4-(aminomethyl)-1-(5-chloranylpyridin-2-yl)sulfonyl-4-oxidanyl-pyrrolidin-3-yl]oxy-2-fluoranyl-benzenecarbonitrile |
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| F8O | Name: | (2~{R},4~{R})-2,4-dimethyloctanal | Formula: | C10 H20 O | SMILES: | CCCC[CH](C)C[CH](C)C=O | InChi: | InChI=1S/C10H20O/c1-4-5-6-9(2)7-10(3)8-11/h8-10H,4-7H2,1-3H3/t9-,10-/m1/s1 | Definition date: | 2023-07-19 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | (2~{R},4~{R})-2,4-dimethyloctanal |
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| F9M | Name: | [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[(1~{S},5~{R})-3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone | Formula: | C25 H23 F3 N8 O S2 | SMILES: | Cc1sc(c(C)n1)c2csc(Nc3ccc(cn3)C(=O)N4[CH]5CC[CH]4CN(C5)c6ncc(cn6)C(F)(F)F)n2 | InChi: | InChI=1S/C25H23F3N8OS2/c1-13-21(39-14(2)32-13)19-12-38-24(33-19)34-20-6-3-15(7-29-20)22(37)36-17-4-5-18(36)11-35(10-17)23-30-8-16(9-31-23)25(26,27)28/h3,6-9,12,17-18H,4-5,10-11H2,1-2H3,(H,29,33,34)/t17-,18+ | Definition date: | 2023-07-04 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[(1~{S},5~{R})-3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone |
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| FDO | Name: | (2~{R})-4-methyl-2-(methylamino)pentanamide | Formula: | C7 H16 N2 O | SMILES: | CN[CH](CC(C)C)C(N)=O | InChi: | InChI=1S/C7H16N2O/c1-5(2)4-6(9-3)7(8)10/h5-6,9H,4H2,1-3H3,(H2,8,10)/t6-/m1/s1 | Definition date: | 2023-07-19 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | (2~{R})-4-methyl-2-(methylamino)pentanamide |
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| FH6 | Name: | (2~{R})-2-azanyl-3-[(2~{S},3~{R})-2-methyl-5-oxidanylidene-pyrrolidin-3-yl]sulfanyl-propanal | Formula: | C8 H14 N2 O2 S | SMILES: | C[CH]1NC(=O)C[CH]1SC[CH](N)C=O | InChi: | InChI=1S/C8H14N2O2S/c1-5-7(2-8(12)10-5)13-4-6(9)3-11/h3,5-7H,2,4,9H2,1H3,(H,10,12)/t5-,6+,7+/m0/s1 | Definition date: | 2023-07-19 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | (2~{R})-2-azanyl-3-[(2~{S},3~{R})-2-methyl-5-oxidanylidene-pyrrolidin-3-yl]sulfanyl-propanal |
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| HWF | Name: | (2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid | Formula: | C13 H17 N O2 | SMILES: | O=C(O)C(Cc1ccccc1)C1CCNC1 | InChi: | InChI=1S/C13H17NO2/c15-13(16)12(11-6-7-14-9-11)8-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2,(H,15,16)/t11-,12-/m0/s1 | Synonyms: | LY3353871 | Definition date: | 2023-07-22 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | (2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid |
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| IJM | Name: | (6M)-3-hydroxy-4-oxo-6-[(4M)-4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-2-carboxylic acid | Formula: | C14 H8 F3 N5 O4 | SMILES: | O=C(O)C=1NC(=CC(=O)C=1O)c1ccc(cc1C(F)(F)F)c1nnn[NH]1 | InChi: | InChI=1S/C14H8F3N5O4/c15-14(16,17)7-3-5(12-19-21-22-20-12)1-2-6(7)8-4-9(23)11(24)10(18-8)13(25)26/h1-4,24H,(H,18,23)(H,25,26)(H,19,20,21,22) | Definition date: | 2023-08-01 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | (6M)-3-hydroxy-4-oxo-6-[(4M)-4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-2-carboxylic acid |
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| JEI | Name: | (3-{(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid | Formula: | C15 H24 N6 O9 P2 | SMILES: | O=C(CCP(=O)(O)O)N1CC(CC1COCCP(=O)(O)O)n1cnc2c1N=C(N)NC2=O | InChi: | InChI=1S/C15H24N6O9P2/c16-15-18-13-12(14(23)19-15)17-8-21(13)9-5-10(7-30-2-4-32(27,28)29)20(6-9)11(22)1-3-31(24,25)26/h8-10H,1-7H2,(H2,24,25,26)(H2,27,28,29)(H3,16,18,19,23)/t9-,10+/m1/s1 | Definition date: | 2023-08-07 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | (3-{(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid |
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| JG6 | Name: | {3-[(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl}phosphonic acid | Formula: | C13 H19 N6 O6 P | SMILES: | O=C(CCP(=O)(O)O)N1CC(CC1CO)n1cnc2c1N=C(N)NC2=O | InChi: | InChI=1S/C13H19N6O6P/c14-13-16-11-10(12(22)17-13)15-6-19(11)7-3-8(5-20)18(4-7)9(21)1-2-26(23,24)25/h6-8,20H,1-5H2,(H2,23,24,25)(H3,14,16,17,22)/t7-,8+/m1/s1 | Definition date: | 2023-08-07 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | {3-[(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl}phosphonic acid |
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| YOP | Name: | 3-[(2S)-2-amino-3-hydroxypropyl]pyridin-2(5H)-one | Formula: | C8 H12 N2 O2 | SMILES: | O=C1NC=CC=C1CC(N)CO | InChi: | InChI=1S/C8H12N2O2/c9-7(5-11)4-6-2-1-3-10-8(6)12/h1-3,7,11H,4-5,9H2,(H,10,12)/t7-/m0/s1 | Definition date: | 2021-03-17 | Last modified: | 2024-04-30 | Release date: | 2021-08-25 | Identifier: | 3-[(2S)-2-amino-3-hydroxypropyl]pyridin-2(1H)-one |
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| LYT | Name: | BUTYLAMINE | Formula: | C4 H11 N | SMILES: | NCCCC | InChi: | InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3 | Definition date: | 1999-07-08 | Last modified: | 2024-04-30 | Identifier: | butan-1-amine |
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| R5P | Name: | RIBOSE-5-PHOSPHATE | Formula: | C5 H11 O8 P | SMILES: | O=P(OCC(O)C(O)C(O)C=O)(O)O | InChi: | InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4+,5-/m0/s1 | Definition date: | 2001-06-19 | Last modified: | 2024-04-30 | Identifier: | 5-O-phosphono-D-ribose |
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| 9R4 | Name: | D-gamma-glutamyl-2-methyl-L-alanine | Formula: | C9 H16 N2 O5 | SMILES: | NC(CCC(NC(C)(C(O)=O)C)=O)C(O)=O | InChi: | InChI=1S/C9H16N2O5/c1-9(2,8(15)16)11-6(12)4-3-5(10)7(13)14/h5H,3-4,10H2,1-2H3,(H,11,12)(H,13,14)(H,15,16)/t5-/m1/s1 | Definition date: | 2017-06-01 | Last modified: | 2024-04-30 | Release date: | 2017-11-15 | Identifier: | D-gamma-glutamyl-2-methyl-L-alanine |
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| 1CC | Name: | 5-carboxy-2'-deoxycytidine monophosphate | Formula: | C10 H14 N3 O9 P | SMILES: | O=C(O)C=1C(=NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O)N | InChi: | InChI=1S/C10H14N3O9P/c11-8-4(9(15)16)2-13(10(17)12-8)7-1-5(14)6(22-7)3-21-23(18,19)20/h2,5-7,14H,1,3H2,(H,15,16)(H2,11,12,17)(H2,18,19,20)/t5-,6+,7+/m0/s1 | Definition date: | 2011-11-17 | Last modified: | 2024-04-29 | Identifier: | 5-carboxy-2'-deoxycytidine 5'-(dihydrogen phosphate) |
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| SD0 | Name: | (S)-5-amino-2-(4-(2-amino-2-carboxyethyl)phenyl)-2-hydroxy-5-(hydroxymethyl)-1,3,2-dioxaborinan-2-uide | Formula: | C13 H20 B N2 O6 | SMILES: | N[CH](Cc1ccc(cc1)[B-]2(O)OCC(N)(CO)CO2)C(O)=O | InChi: | InChI=1S/C13H20BN2O6/c15-11(12(18)19)5-9-1-3-10(4-2-9)14(20)21-7-13(16,6-17)8-22-14/h1-4,11,17,20H,5-8,15-16H2,(H,18,19)/q-1/t11-,13-,14+/m0/s1 | Synonyms: | (2~{S})-2-azanyl-3-[4-[5-azanyl-5-(hydroxymethyl)-2-$l^{3}-oxidanyl-1,3,2$l^{4}-dioxaborinan-2-yl]phenyl]propanal | Definition date: | 2023-08-30 | Last modified: | 2024-04-26 | Release date: | 2024-05-01 | Identifier: | (2~{S})-2-azanyl-3-[4-[5-azanyl-5-(hydroxymethyl)-2-oxidanyl-1,3-dioxa-2-boranuidacyclohex-2-yl]phenyl]propanoic acid |
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| WOQ | Name: | Setiptiline | Formula: | C19 H19 N | SMILES: | CN1CC2=C(CC1)c1ccccc1Cc1ccccc21 | InChi: | InChI=1S/C19H19N/c1-20-11-10-18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)19(18)13-20/h2-9H,10-13H2,1H3 | Synonyms: | [4a(13b)M,13aM]-2-methyl-2,3,4,9-tetrahydro-1H-dibenzo[3,4:6,7]cyclohepta[1,2-c]pyridine | Definition date: | 2023-10-09 | Last modified: | 2024-04-26 | Release date: | 2024-05-01 | Identifier: | [4a(13b)M,13aM]-2-methyl-2,3,4,9-tetrahydro-1H-dibenzo[3,4:6,7]cyclohepta[1,2-c]pyridine |
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| WRU | Name: | Mianserin | Formula: | C18 H20 N2 | SMILES: | CN1CC2N(CC1)c1ccccc1Cc1ccccc21 | InChi: | InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3/t18-/m1/s1 | Definition date: | 2023-10-10 | Last modified: | 2024-04-26 | Release date: | 2024-05-01 | Identifier: | (5S,14bS)-2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine |
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| WUX | Name: | 2-[(3~{R},4~{S},5~{S},8~{S},9~{S},10~{S},11~{R},13~{S},14~{S},16~{S})-16-acetyloxy-4,8,10,14-tetramethyl-3,11-bis(oxidanyl)-1,2,3,4,5,6,7,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5-cyclopentyl-pentanoic acid | Formula: | C33 H54 O6 | SMILES: | C[CH]1[CH](O)CC[C]2(C)[CH]1CC[C]3(C)[CH]2[CH](O)C[CH]4[CH]([CH](C[C]34C)OC(C)=O)[CH](CCCC5CCCC5)C(O)=O | InChi: | InChI=1S/C33H54O6/c1-19-23-13-16-32(4)29(31(23,3)15-14-25(19)35)26(36)17-24-28(27(39-20(2)34)18-33(24,32)5)22(30(37)38)12-8-11-21-9-6-7-10-21/h19,21-29,35-36H,6-18H2,1-5H3,(H,37,38)/t19-,22-,23-,24-,25+,26+,27-,28-,29-,31-,32-,33-/m0/s1 | Definition date: | 2023-05-22 | Last modified: | 2024-04-26 | Release date: | 2024-05-01 | Identifier: | 2-[(3~{R},4~{S},5~{S},8~{S},9~{S},10~{S},11~{R},13~{S},14~{S},16~{S})-16-acetyloxy-4,8,10,14-tetramethyl-3,11-bis(oxidanyl)-1,2,3,4,5,6,7,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5-cyclopentyl-pentanoic acid |
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| X1L | Name: | N-[(1S)-1-cyclopropyl-3-(methanesulfonyl)propyl]-2-(1,1-difluoroethyl)-4-phenoxypyrimidine-5-carboxamide | Formula: | C20 H23 F2 N3 O4 S | SMILES: | FC(C)(F)c1nc(Oc2ccccc2)c(cn1)C(=O)NC(CCS(C)(=O)=O)C1CC1 | InChi: | InChI=1S/C20H23F2N3O4S/c1-20(21,22)19-23-12-15(18(25-19)29-14-6-4-3-5-7-14)17(26)24-16(13-8-9-13)10-11-30(2,27)28/h3-7,12-13,16H,8-11H2,1-2H3,(H,24,26) | Definition date: | 2023-10-19 | Last modified: | 2024-04-26 | Release date: | 2024-05-01 | Identifier: | N-[(1S)-1-cyclopropyl-3-(methanesulfonyl)propyl]-2-(1,1-difluoroethyl)-4-phenoxypyrimidine-5-carboxamide |
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| X8L | Name: | L-gulono-1,4-lactone | Formula: | C6 H10 O6 | SMILES: | OC[CH](O)[CH]1OC(=O)[CH](O)[CH]1O | InChi: | InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3+,4-,5+/m0/s1 | Synonyms: | (3S,4R,5R)-5-[(1S)-1,2-bis(oxidanyl)ethyl]-3,4-bis(oxidanyl)oxolan-2-one | Definition date: | 2023-10-25 | Last modified: | 2024-04-26 | Release date: | 2024-05-01 | Identifier: | (3~{S},4~{R},5~{R})-5-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4-bis(oxidanyl)oxolan-2-one |
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| X8X | Name: | L-galactono-1,4-lactone | Formula: | C6 H10 O6 | SMILES: | OC[CH](O)[CH]1OC(=O)[CH](O)[CH]1O | InChi: | InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3-,4-,5+/m0/s1 | Synonyms: | (3S,4S,5R)-5-[(1S)-1,2-bis(oxidanyl)ethyl]-3,4-bis(oxidanyl)oxolan-2-one | Definition date: | 2023-10-25 | Last modified: | 2024-04-26 | Release date: | 2024-05-01 | Identifier: | (3~{S},4~{S},5~{R})-5-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4-bis(oxidanyl)oxolan-2-one |
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| XSL | Name: | [2-[2-[[2,2-bis(fluoranyl)-2-(2-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid | Formula: | C16 H15 F3 N O5 P | SMILES: | O[P](O)(=O)c1ccccc1OCC(=O)NCC(F)(F)c2ccccc2F | InChi: | InChI=1S/C16H15F3NO5P/c17-12-6-2-1-5-11(12)16(18,19)10-20-15(21)9-25-13-7-3-4-8-14(13)26(22,23)24/h1-8H,9-10H2,(H,20,21)(H2,22,23,24) | Definition date: | 2023-01-30 | Last modified: | 2024-04-26 | Release date: | 2024-05-01 | Identifier: | [2-[2-[[2,2-bis(fluoranyl)-2-(2-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid |
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| Y0B | Name: | 2-methoxy-6-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol | Formula: | C18 H21 N3 O2 | SMILES: | COc1cccc(CNc2nc3ccccc3n2CCC)c1O | InChi: | InChI=1S/C18H21N3O2/c1-3-11-21-15-9-5-4-8-14(15)20-18(21)19-12-13-7-6-10-16(23-2)17(13)22/h4-10,22H,3,11-12H2,1-2H3,(H,19,20) | Definition date: | 2023-06-09 | Last modified: | 2024-04-26 | Release date: | 2024-05-01 | Identifier: | 2-methoxy-6-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol |
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| Y6E | Name: | 1-(4-{6-fluoro-3-[4-(methanesulfonyl)piperazine-1-carbonyl]quinolin-4-yl}phenyl)cyclopropane-1-carbonitrile | Formula: | C25 H23 F N4 O3 S | SMILES: | O=S(C)(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1c1ccc(cc1)C1(C#N)CC1 | InChi: | InChI=1S/C25H23FN4O3S/c1-34(32,33)30-12-10-29(11-13-30)24(31)21-15-28-22-7-6-19(26)14-20(22)23(21)17-2-4-18(5-3-17)25(16-27)8-9-25/h2-7,14-15H,8-13H2,1H3 | Definition date: | 2023-06-12 | Last modified: | 2024-04-26 | Release date: | 2024-05-01 | Identifier: | 1-(4-{6-fluoro-3-[4-(methanesulfonyl)piperazine-1-carbonyl]quinolin-4-yl}phenyl)cyclopropane-1-carbonitrile |
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| A1AAB | Name: | N-{7-[(1S)-1-methoxyethyl]-2-methyl[1,3]thiazolo[5,4-b]pyridin-6-yl}-N'-[6-(2H-1,2,3-triazol-2-yl)-5-(trifluoromethyl)pyridin-3-yl]urea | Formula: | C19 H17 F3 N8 O2 S | SMILES: | FC(F)(F)c1cc(cnc1n1nccn1)NC(=O)Nc1cnc2sc(C)nc2c1C(C)OC | InChi: | InChI=1S/C19H17F3N8O2S/c1-9(32-3)14-13(8-24-17-15(14)27-10(2)33-17)29-18(31)28-11-6-12(19(20,21)22)16(23-7-11)30-25-4-5-26-30/h4-9H,1-3H3,(H2,28,29,31) | Definition date: | 2023-12-12 | Last modified: | 2024-04-26 | Release date: | 2024-05-01 | Identifier: | N-{7-[(1S)-1-methoxyethyl]-2-methyl[1,3]thiazolo[5,4-b]pyridin-6-yl}-N'-[6-(2H-1,2,3-triazol-2-yl)-5-(trifluoromethyl)pyridin-3-yl]urea |
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