 | | A1D5Y | | Name: | (1~{S})-1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol | | Formula: | C19 H24 N2 O S | | SMILES: | C[CH](O)c1ccc2Sc3ccccc3N(CCCN(C)C)c2c1 | | InChi: | InChI=1S/C19H24N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13-14,22H,6,11-12H2,1-3H3/t14-/m0/s1 | | Definition date: | 2024-02-04 | | Last modified: | 2024-10-04 | | Release date: | 2024-10-09 | | Identifier: | (1~{S})-1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol |
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 | | A1D5Z | | Name: | (1~{R})-1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol | | Formula: | C19 H24 N2 O S | | SMILES: | C[CH](O)c1ccc2Sc3ccccc3N(CCCN(C)C)c2c1 | | InChi: | InChI=1S/C19H24N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13-14,22H,6,11-12H2,1-3H3/t14-/m1/s1 | | Definition date: | 2024-02-04 | | Last modified: | 2024-10-04 | | Release date: | 2024-10-09 | | Identifier: | (1~{R})-1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol |
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 | | 6CI | | Name: | 5-[3-(2-methoxy-5-oxidanyl-phenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-pyridine-3-carboxamide | | Formula: | C22 H20 N4 O3 | | SMILES: | COc1ccc(O)cc1c2c[nH]c3ncc(cc23)c4cncc(c4)C(=O)N(C)C | | InChi: | InChI=1S/C22H20N4O3/c1-26(2)22(28)15-6-13(9-23-10-15)14-7-18-19(12-25-21(18)24-11-14)17-8-16(27)4-5-20(17)29-3/h4-12,27H,1-3H3,(H,24,25) | | Definition date: | 2023-02-06 | | Last modified: | 2024-10-04 | | Release date: | 2024-10-09 | | Identifier: | 5-[3-(2-methoxy-5-oxidanyl-phenyl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-~{N},~{N}-dimethyl-pyridine-3-carboxamide |
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 | | W3K | | Name: | N,N-dimethyl-4-(5-methyl-1H-benzimidazol-2-yl)aniline | | Formula: | C16 H17 N3 | | SMILES: | CN(C)c1ccc(cc1)c2[nH]c3ccc(C)cc3n2 | | InChi: | InChI=1S/C16H17N3/c1-11-4-9-14-15(10-11)18-16(17-14)12-5-7-13(8-6-12)19(2)3/h4-10H,1-3H3,(H,17,18) | | Definition date: | 2023-09-16 | | Last modified: | 2024-10-04 | | Release date: | 2024-10-09 | | Identifier: | ~{N},~{N}-dimethyl-4-(5-methyl-1~{H}-benzimidazol-2-yl)aniline |
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 | | WAW | | Name: | N-{[(3S)-2-(3-fluoropyrazin-2-yl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl}-1H-indazole-4-carboxamide | | Formula: | C22 H19 F N6 O | | SMILES: | Fc1nccnc1N1Cc2ccccc2CC1CNC(=O)c1cccc2[NH]ncc12 | | InChi: | InChI=1S/C22H19FN6O/c23-20-21(25-9-8-24-20)29-13-15-5-2-1-4-14(15)10-16(29)11-26-22(30)17-6-3-7-19-18(17)12-27-28-19/h1-9,12,16H,10-11,13H2,(H,26,30)(H,27,28)/t16-/m0/s1 | | Definition date: | 2023-09-29 | | Last modified: | 2024-10-04 | | Release date: | 2024-10-09 | | Identifier: | N-{[(3S)-2-(3-fluoropyrazin-2-yl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl}-1H-indazole-4-carboxamide |
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 | | WGN | | Name: | (2S,3R)-3-dodecylsulfanyl-2-methyl-butanoic acid | | Formula: | C17 H34 O2 S | | SMILES: | CCCCCCCCCCCCS[CH](C)[CH](C)C(O)=O | | InChi: | InChI=1S/C17H34O2S/c1-4-5-6-7-8-9-10-11-12-13-14-20-16(3)15(2)17(18)19/h15-16H,4-14H2,1-3H3,(H,18,19)/t15-,16-/m1/s1 | | Definition date: | 2023-10-04 | | Last modified: | 2024-10-04 | | Release date: | 2024-10-09 | | Identifier: | (2~{S},3~{R})-3-dodecylsulfanyl-2-methyl-butanoic acid |
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 | | WH8 | | Name: | (2S,3S)-3-dodecylsulfanyl-2-methyl-butanoic acid | | Formula: | C17 H34 O2 S | | SMILES: | CCCCCCCCCCCCS[CH](C)[CH](C)C(O)=O | | InChi: | InChI=1S/C17H34O2S/c1-4-5-6-7-8-9-10-11-12-13-14-20-16(3)15(2)17(18)19/h15-16H,4-14H2,1-3H3,(H,18,19)/t15-,16+/m1/s1 | | Definition date: | 2023-10-04 | | Last modified: | 2024-10-04 | | Release date: | 2024-10-09 | | Identifier: | (2~{S},3~{S})-3-dodecylsulfanyl-2-methyl-butanoic acid |
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 | | WHT | | Name: | (2~{R})-2-azanyl-3-phosphono-propanoic acid | | Formula: | C3 H8 N O5 P | | SMILES: | N[CH](C[P](O)(O)=O)C(O)=O | | InChi: | InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1 | | Definition date: | 2023-10-04 | | Last modified: | 2024-10-04 | | Release date: | 2024-10-09 | | Identifier: | (2~{R})-2-azanyl-3-phosphono-propanoic acid |
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 | | WIW | | Name: | (5~{S},5~{a}~{R},8~{a}~{R},9~{R})-5-pyrimidin-2-ylsulfanyl-9-(3,4,5-trimethoxyphenyl)-5~{a},6,8~{a},9-tetrahydro-5~{H}-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one | | Formula: | C26 H24 N2 O7 S | | SMILES: | COc1cc(cc(OC)c1OC)[CH]2[CH]3[CH](COC3=O)[CH](Sc4ncccn4)c5cc6OCOc6cc25 | | InChi: | InChI=1S/C26H24N2O7S/c1-30-19-7-13(8-20(31-2)23(19)32-3)21-14-9-17-18(35-12-34-17)10-15(14)24(16-11-33-25(29)22(16)21)36-26-27-5-4-6-28-26/h4-10,16,21-22,24H,11-12H2,1-3H3/t16-,21+,22-,24+/m0/s1 | | Definition date: | 2023-10-05 | | Last modified: | 2024-10-04 | | Release date: | 2024-10-09 | | Identifier: | (5~{S},5~{a}~{R},8~{a}~{R},9~{R})-5-pyrimidin-2-ylsulfanyl-9-(3,4,5-trimethoxyphenyl)-5~{a},6,8~{a},9-tetrahydro-5~{H}-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one |
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 | | WIZ | | Name: | 3-[2-bromanyl-4-[(1~{S})-1-[[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propanoyl]amino]ethyl]phenoxy]benzoic acid | | Formula: | C25 H23 Br N4 O5 | | SMILES: | C[CH](NC(=O)CC(=O)Nc1ccc(cc1)C(N)=N)c2ccc(Oc3cccc(c3)C(O)=O)c(Br)c2 | | InChi: | InChI=1S/C25H23BrN4O5/c1-14(29-22(31)13-23(32)30-18-8-5-15(6-9-18)24(27)28)16-7-10-21(20(26)12-16)35-19-4-2-3-17(11-19)25(33)34/h2-12,14H,13H2,1H3,(H3,27,28)(H,29,31)(H,30,32)(H,33,34)/t14-/m0/s1 | | Definition date: | 2023-10-04 | | Last modified: | 2024-10-04 | | Release date: | 2024-10-09 | | Identifier: | 3-[2-bromanyl-4-[(1~{S})-1-[[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propanoyl]amino]ethyl]phenoxy]benzoic acid |
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 | | KTO | | Name: | (1~{S},5~{R})-9-oxidanyl-9-azabicyclo[3.3.1]nonan-3-one | | Formula: | C8 H13 N O2 | | SMILES: | ON1[CH]2CCC[CH]1CC(=O)C2 | | InChi: | InChI=1S/C8H13NO2/c10-8-4-6-2-1-3-7(5-8)9(6)11/h6-7,11H,1-5H2/t6-,7+ | | Definition date: | 2016-05-12 | | Last modified: | 2024-10-03 | | Release date: | 2016-09-14 | | Identifier: | (1~{S},5~{R})-9-oxidanyl-9-azabicyclo[3.3.1]nonan-3-one |
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 | | XT9 | | Name: | 6beta-amino-17-propyl-5alpha,9alpha,13alpha-4,5-epoxymorphinan-3,14-diol | | Formula: | C19 H26 N2 O3 | | SMILES: | Oc1ccc2CC3N(CCC45C(Oc1c24)C(N)CCC35O)CCC | | InChi: | InChI=1S/C19H26N2O3/c1-2-8-21-9-7-18-15-11-3-4-13(22)16(15)24-17(18)12(20)5-6-19(18,23)14(21)10-11/h3-4,12,14,17,22-23H,2,5-10,20H2,1H3/t12-,14+,17+,18-,19-/m1/s1 | | Definition date: | 2022-12-07 | | Last modified: | 2024-10-02 | | Release date: | 2023-12-06 | | Identifier: | 6beta-amino-17-propyl-5alpha,9alpha,13alpha-4,5-epoxymorphinan-3,14-diol |
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 | | YRV | | Name: | S-[(3-methylphenyl)methyl]-L-cysteine | | Formula: | C11 H15 N O2 S | | SMILES: | O=C(O)C(N)CSCc1cccc(C)c1 | | InChi: | InChI=1S/C11H15NO2S/c1-8-3-2-4-9(5-8)6-15-7-10(12)11(13)14/h2-5,10H,6-7,12H2,1H3,(H,13,14)/t10-/m0/s1 | | Definition date: | 2021-03-29 | | Last modified: | 2024-10-02 | | Release date: | 2024-04-24 | | Identifier: | S-[(3-methylphenyl)methyl]-L-cysteine |
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 | | A1ADY | | Name: | (2~{S})-2-azanyl-3-[2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]propan-1-ol | | Formula: | C9 H10 N2 O4 | | SMILES: | O=[N+]([O-])c1ccccc1CC(N)C(=O)O | | InChi: | InChI=1S/C9H10N2O4/c10-7(9(12)13)5-6-3-1-2-4-8(6)11(14)15/h1-4,7H,5,10H2,(H,12,13)/t7-/m0/s1 | | Definition date: | 2024-01-29 | | Last modified: | 2024-10-02 | | Release date: | 2024-03-13 | | Identifier: | 2-nitro-L-phenylalanine |
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 | | A1ADZ | | Name: | (2S)-2-amino-3-(2-methoxyphenyl)propan-1-ol | | Formula: | C10 H13 N O3 | | SMILES: | COc1ccccc1CC(N)C(=O)O | | InChi: | InChI=1S/C10H13NO3/c1-14-9-5-3-2-4-7(9)6-8(11)10(12)13/h2-5,8H,6,11H2,1H3,(H,12,13)/t8-/m0/s1 | | Definition date: | 2024-01-29 | | Last modified: | 2024-10-02 | | Release date: | 2024-03-13 | | Identifier: | 2-methoxy-L-phenylalanine |
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 | | A1L0C | | Name: | [(1R)-1-[(1-cyclohexyl-1,2,3-triazol-4-yl)carbonylamino]-3-methyl-butyl]boronic acid | | Formula: | C14 H25 B N4 O3 | | SMILES: | CC(C)C[CH](NC(=O)c1cn(nn1)C2CCCCC2)B(O)O | | InChi: | InChI=1S/C14H25BN4O3/c1-10(2)8-13(15(21)22)16-14(20)12-9-19(18-17-12)11-6-4-3-5-7-11/h9-11,13,21-22H,3-8H2,1-2H3,(H,16,20)/t13-/m0/s1 | | Definition date: | 2024-04-09 | | Last modified: | 2024-10-02 | | Release date: | 2024-07-31 | | Identifier: | [(1~{R})-1-[(1-cyclohexyl-1,2,3-triazol-4-yl)carbonylamino]-3-methyl-butyl]boronic acid |
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 | | A1L0D | | Name: | [(~{R})-cyclohexyl-[(1-cyclohexyl-1,2,3-triazol-4-yl)carbonylamino]methyl]boronic acid | | Formula: | C16 H27 B N4 O3 | | SMILES: | OB(O)[CH](NC(=O)c1cn(nn1)C2CCCCC2)C3CCCCC3 | | InChi: | InChI=1S/C16H27BN4O3/c22-16(18-15(17(23)24)12-7-3-1-4-8-12)14-11-21(20-19-14)13-9-5-2-6-10-13/h11-13,15,23-24H,1-10H2,(H,18,22)/t15-/m0/s1 | | Definition date: | 2024-04-09 | | Last modified: | 2024-10-02 | | Release date: | 2024-07-31 | | Identifier: | [(~{R})-cyclohexyl-[(1-cyclohexyl-1,2,3-triazol-4-yl)carbonylamino]methyl]boronic acid |
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 | | LBY | | Name: | N~6~-(tert-butoxycarbonyl)-L-lysine | | Formula: | C11 H22 N2 O4 | | SMILES: | O=C(OC(C)(C)C)NCCCCC(C(=O)O)N | | InChi: | InChI=1S/C11H22N2O4/c1-11(2,3)17-10(16)13-7-5-4-6-8(12)9(14)15/h8H,4-7,12H2,1-3H3,(H,13,16)(H,14,15)/t8-/m0/s1 | | Definition date: | 2005-07-05 | | Last modified: | 2024-10-02 | | Identifier: | N~6~-(tert-butoxycarbonyl)-L-lysine |
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 | | K5L | | Name: | (2~{R})-2-azanyl-3-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-propanoic acid | | Formula: | C6 H9 N O6 | | SMILES: | N[CH](COC(=O)CC(O)=O)C(O)=O | | InChi: | InChI=1S/C6H9NO6/c7-3(6(11)12)2-13-5(10)1-4(8)9/h3H,1-2,7H2,(H,8,9)(H,11,12)/t3-/m1/s1 | | Definition date: | 2017-01-25 | | Last modified: | 2024-10-02 | | Release date: | 2018-01-24 | | Identifier: | (2~{R})-2-azanyl-3-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-propanoic acid |
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 | | I6W | | Name: | ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate | | Formula: | C14 H12 N2 O4 | | SMILES: | O=C(OCC)c1cnc(cc1)c1ncc(C=O)cc1 | | InChi: | InChI=1S/C14H12N2O4/c1-2-20-14(19)10-4-6-12(16-8-10)11-5-3-9(7-15-11)13(17)18/h3-8H,2H2,1H3,(H,17,18) | | Definition date: | 2022-01-20 | | Last modified: | 2024-10-02 | | Release date: | 2022-04-20 | | Identifier: | ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate |
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 | | I77 | | Name: | 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide | | Formula: | C12 H11 N5 O2 | | SMILES: | NC(=O)c1cnc(cc1)c1ccc(cn1)C(=O)NN | | InChi: | InChI=1S/C12H11N5O2/c13-11(18)7-1-3-9(15-5-7)10-4-2-8(6-16-10)12(19)17-14/h1-6H,14H2,(H2,13,18)(H,17,19) | | Definition date: | 2022-01-20 | | Last modified: | 2024-10-02 | | Release date: | 2022-04-20 | | Identifier: | 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide |
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 | | NIO | | Name: | NICOTINIC ACID | | Formula: | C6 H5 N O2 | | SMILES: | O=C(O)c1cccnc1 | | InChi: | InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) | | Definition date: | 1999-07-08 | | Last modified: | 2024-10-02 | | Identifier: | pyridine-3-carboxylic acid |
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 | | W3T | | Name: | 1-[(1~{S},5~{R})-3-[7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]ethanone | | Formula: | C35 H33 F3 N6 O3 | | SMILES: | CC(=O)N1[CH]2CC[CH]1CN(C2)c3nc(OC[C]45CCCN4C[CH](F)C5)nc6c(F)c(ncc36)c7cc(O)cc8ccc(F)c(C#C)c78 | | InChi: | InChI=1S/C35H33F3N6O3/c1-3-25-28(37)8-5-20-11-24(46)12-26(29(20)25)31-30(38)32-27(14-39-31)33(42-16-22-6-7-23(17-42)44(22)19(2)45)41-34(40-32)47-18-35-9-4-10-43(35)15-21(36)13-35/h1,5,8,11-12,14,21-23,46H,4,6-7,9-10,13,15-18H2,2H3/t21-,22-,23+,35+/m1/s1 | | Definition date: | 2023-09-19 | | Last modified: | 2024-10-02 | | Release date: | 2024-09-11 | | Identifier: | 1-[(1~{S},5~{R})-3-[7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]ethanone |
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 | | Y9Z | | Name: | 5'-O-[(S)-{[(S)-[2-(acetylamino)ethoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine | | Formula: | C14 H22 N6 O12 P2 | | SMILES: | O=P(OCCNC(=O)C)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O | | InChi: | InChI=1S/C14H22N6O12P2/c1-6(21)16-2-3-29-33(25,26)32-34(27,28)30-4-7-9(22)10(23)13(31-7)20-5-17-8-11(20)18-14(15)19-12(8)24/h5,7,9-10,13,22-23H,2-4H2,1H3,(H,16,21)(H,25,26)(H,27,28)(H3,15,18,19,24)/t7-,9-,10-,13-/m1/s1 | | Definition date: | 2013-12-27 | | Last modified: | 2024-09-27 | | Release date: | 2014-06-04 | | Identifier: | 5'-O-[(S)-{[(S)-[2-(acetylamino)ethoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine |
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 | | HAO | | Name: | {[3-(hydrazinocarbonyl)-4-methoxyphenyl]amino}(oxo)acetic acid | | Formula: | C10 H11 N3 O5 | | SMILES: | O=C(O)C(=O)Nc1ccc(OC)c(C(=O)NN)c1 | | InChi: | InChI=1S/C10H11N3O5/c1-18-7-3-2-5(12-9(15)10(16)17)4-6(7)8(14)13-11/h2-4H,11H2,1H3,(H,12,15)(H,13,14)(H,16,17) | | Definition date: | 2010-07-01 | | Last modified: | 2024-09-27 | | Identifier: | {[3-(hydrazinylcarbonyl)-4-methoxyphenyl]amino}(oxo)acetic acid |
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