 | | 2LZ | | Name: | (5-fluoro-1H-indol-3-yl)acetic acid | | Formula: | C10 H8 F N O2 | | SMILES: | O=C(O)Cc1c[NH]c2ccc(F)cc21 | | InChi: | InChI=1S/C10H8FNO2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(13)14/h1-2,4-5,12H,3H2,(H,13,14) | | Definition date: | 2021-06-30 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | (5-fluoro-1H-indol-3-yl)acetic acid |
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 | | 7VZ | | Name: | methyl 2-chloranyl-4-cyclohexylsulfanyl-5-sulfamoyl-benzoate | | Formula: | C14 H18 Cl N O4 S2 | | SMILES: | COC(=O)c1cc(c(SC2CCCCC2)cc1Cl)[S](N)(=O)=O | | InChi: | InChI=1S/C14H18ClNO4S2/c1-20-14(17)10-7-13(22(16,18)19)12(8-11(10)15)21-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H2,16,18,19) | | Definition date: | 2021-09-09 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | methyl 2-chloranyl-4-cyclohexylsulfanyl-5-sulfamoyl-benzoate |
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 | | BWI | | Name: | 1-(2-{[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]amino}quinazolin-8-yl)cyclopropane-1-carbonitrile | | Formula: | C21 H22 N6 O | | SMILES: | N#CC1(CC1)c1cccc2cnc(nc12)Nc1cnn(C2CCOCC2)c1C | | InChi: | InChI=1S/C21H22N6O/c1-14-18(12-24-27(14)16-5-9-28-10-6-16)25-20-23-11-15-3-2-4-17(19(15)26-20)21(13-22)7-8-21/h2-4,11-12,16H,5-10H2,1H3,(H,23,25,26) | | Definition date: | 2021-11-18 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 1-(2-{[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]amino}quinazolin-8-yl)cyclopropane-1-carbonitrile |
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 | | BXI | | Name: | 1-[5-chloro-4-({6-chloro-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-yl}amino)-1H-pyrazol-1-yl]-2-methylpropan-2-ol | | Formula: | C23 H28 Cl2 N6 O2 | | SMILES: | CC(C)(O)Cn1ncc(Nc2nc3cc(C4CCN(CC4)C4COC4)c(Cl)cc3cn2)c1Cl | | InChi: | InChI=1S/C23H28Cl2N6O2/c1-23(2,32)13-31-21(25)20(10-27-31)29-22-26-9-15-7-18(24)17(8-19(15)28-22)14-3-5-30(6-4-14)16-11-33-12-16/h7-10,14,16,32H,3-6,11-13H2,1-2H3,(H,26,28,29) | | Definition date: | 2021-11-18 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 1-[5-chloro-4-({6-chloro-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-yl}amino)-1H-pyrazol-1-yl]-2-methylpropan-2-ol |
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 | | BYL | | Name: | (3R,4R)-4-{4-[6-chloro-2-({1-[(1R)-2,2-difluorocyclopropyl]-5-methyl-1H-pyrazol-4-yl}amino)quinazolin-7-yl]piperidin-1-yl}-4-methyloxolan-3-ol | | Formula: | C25 H29 Cl F2 N6 O2 | | SMILES: | OC1COCC1(C)N1CCC(CC1)c1cc2nc(Nc3cnn(C4CC4(F)F)c3C)ncc2cc1Cl | | InChi: | InChI=1S/C25H29ClF2N6O2/c1-14-20(11-30-34(14)21-9-25(21,27)28)32-23-29-10-16-7-18(26)17(8-19(16)31-23)15-3-5-33(6-4-15)24(2)13-36-12-22(24)35/h7-8,10-11,15,21-22,35H,3-6,9,12-13H2,1-2H3,(H,29,31,32)/t21-,22+,24-/m1/s1 | | Definition date: | 2021-11-18 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | (3R,4R)-4-{4-[6-chloro-2-({1-[(1R)-2,2-difluorocyclopropyl]-5-methyl-1H-pyrazol-4-yl}amino)quinazolin-7-yl]piperidin-1-yl}-4-methyloxolan-3-ol |
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 | | R2J | | Name: | N-methyl-1-(1-methyl-1H-indazol-3-yl)methanamine | | Formula: | C10 H13 N3 | | SMILES: | c2c1n(C)nc(c1ccc2)CNC | | InChi: | InChI=1S/C10H13N3/c1-11-7-9-8-5-3-4-6-10(8)13(2)12-9/h3-6,11H,7H2,1-2H3 | | Definition date: | 2020-01-27 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | N-methyl-1-(1-methyl-1H-indazol-3-yl)methanamine |
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 | | YCS | | Name: | (2~{R})-2-(4-bromanylphenoxy)propanamide | | Formula: | C9 H10 Br N O2 | | SMILES: | C[CH](Oc1ccc(Br)cc1)C(N)=O | | InChi: | InChI=1S/C9H10BrNO2/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H2,11,12)/t6-/m1/s1 | | Definition date: | 2021-02-22 | | Last modified: | 2021-12-31 | | Release date: | 2022-01-05 | | Identifier: | (2~{R})-2-(4-bromanylphenoxy)propanamide |
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 | | C5Y | | Name: | 5'-O-[(S)-hydroxy(octanoyloxy)phosphoryl]adenosine | | Formula: | C18 H28 N5 O8 P | | SMILES: | CCCCCCCC(=O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O | | InChi: | InChI=1S/C18H28N5O8P/c1-2-3-4-5-6-7-12(24)31-32(27,28)29-8-11-14(25)15(26)18(30-11)23-10-22-13-16(19)20-9-21-17(13)23/h9-11,14-15,18,25-26H,2-8H2,1H3,(H,27,28)(H2,19,20,21)/t11-,14-,15-,18-/m1/s1 | | Definition date: | 2021-11-19 | | Last modified: | 2021-12-31 | | Release date: | 2022-01-05 | | Identifier: | 5'-O-[(S)-hydroxy(octanoyloxy)phosphoryl]adenosine |
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 | | 2WI | | Name: | 6-amino-2-fluoro-N,N-dimethyl-3-(4'-methylspiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl)benzamide | | Formula: | C19 H19 F N4 O | | SMILES: | CN(C)C(=O)c1c(N)ccc(c2cnc3N=CC4(CC4)c3c2C)c1F | | InChi: | InChI=1S/C19H19FN4O/c1-10-12(8-22-17-15(10)19(6-7-19)9-23-17)11-4-5-13(21)14(16(11)20)18(25)24(2)3/h4-5,8-9H,6-7,21H2,1-3H3 | | Definition date: | 2021-06-30 | | Last modified: | 2021-12-31 | | Release date: | 2022-01-05 | | Identifier: | 6-amino-2-fluoro-N,N-dimethyl-3-(4'-methylspiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl)benzamide |
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 | | 2YE | | Name: | 2-amino-N,N-dimethyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide | | Formula: | C16 H16 N4 O | | SMILES: | CN(C)C(=O)c1cc(ccc1N)c1cc2cc[NH]c2nc1 | | InChi: | InChI=1S/C16H16N4O/c1-20(2)16(21)13-8-10(3-4-14(13)17)12-7-11-5-6-18-15(11)19-9-12/h3-9H,17H2,1-2H3,(H,18,19) | | Definition date: | 2021-06-30 | | Last modified: | 2021-12-31 | | Release date: | 2022-01-05 | | Identifier: | 2-amino-N,N-dimethyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide |
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 | | 2TR | | Name: | 6-amino-3-[(1S,3R)-4'-chloro-3-hydroxy-1',2'-dihydrospiro[cyclopentane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl]-2-fluoro-N,N-dimethylbenzamide | | Formula: | C20 H22 Cl F N4 O2 | | SMILES: | CN(C)C(=O)c1c(N)ccc(c1F)c1cnc2NCC3(CCC(O)C3)c2c1Cl | | InChi: | InChI=1S/C20H22ClFN4O2/c1-26(2)19(28)14-13(23)4-3-11(17(14)22)12-8-24-18-15(16(12)21)20(9-25-18)6-5-10(27)7-20/h3-4,8,10,27H,5-7,9,23H2,1-2H3,(H,24,25)/t10-,20-/m1/s1 | | Definition date: | 2021-06-30 | | Last modified: | 2021-12-31 | | Release date: | 2022-01-05 | | Identifier: | 6-amino-3-[(1S,3R)-4'-chloro-3-hydroxy-1',2'-dihydrospiro[cyclopentane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl]-2-fluoro-N,N-dimethylbenzamide |
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 | | 05M | | Name: | 2,3-dimethoxy-5-methyl-6-[10-(triphenyl-$l^{5}-phosphanyl)decyl]cyclohexa-2,5-diene-1,4-dione | | Formula: | C37 H45 O4 P | | SMILES: | COC1=C(OC)C(=O)C(=C(C)C1=O)CCCCCCCCCC[PH](c2ccccc2)(c3ccccc3)c4ccccc4 | | InChi: | InChI=1S/C37H45O4P/c1-29-33(35(39)37(41-3)36(40-2)34(29)38)27-19-8-6-4-5-7-9-20-28-42(30-21-13-10-14-22-30,31-23-15-11-16-24-31)32-25-17-12-18-26-32/h10-18,21-26,42H,4-9,19-20,27-28H2,1-3H3 | | Definition date: | 2021-06-02 | | Last modified: | 2021-12-31 | | Release date: | 2022-01-05 | | Identifier: | 2,3-dimethoxy-5-methyl-6-[10-(triphenyl-$l^{5}-phosphanyl)decyl]cyclohexa-2,5-diene-1,4-dione |
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 | | 8BN | | Name: | Tegoprazan | | Formula: | C20 H19 F2 N3 O3 | | SMILES: | CN(C)C(=O)c1cc2[nH]c(C)nc2c(O[CH]3CCOc4cc(F)cc(F)c34)c1 | | InChi: | InChI=1S/C20H19F2N3O3/c1-10-23-14-6-11(20(26)25(2)3)7-17(19(14)24-10)28-15-4-5-27-16-9-12(21)8-13(22)18(15)16/h6-9,15H,4-5H2,1-3H3,(H,23,24)/t15-/m0/s1 | | Definition date: | 2021-12-03 | | Last modified: | 2021-12-31 | | Release date: | 2022-01-05 | | Identifier: | 7-[[(4~{S})-5,7-bis(fluoranyl)-3,4-dihydro-2~{H}-chromen-4-yl]oxy]-~{N},~{N},2-trimethyl-3~{H}-benzimidazole-5-carboxamide |
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 | | 8BZ | | Name: | N-(2-hydroxyethyl)-N,2-dimethyl-8-[[(4R)-5-methyl-3,4-dihydro-2H-chromen-4-yl]amino]imidazo[1,2-a]pyridine-6-carboxamide | | Formula: | C22 H26 N4 O3 | | SMILES: | CN(CCO)C(=O)c1cn2cc(C)nc2c(N[CH]3CCOc4cccc(C)c34)c1 | | InChi: | InChI=1S/C22H26N4O3/c1-14-5-4-6-19-20(14)17(7-10-29-19)24-18-11-16(22(28)25(3)8-9-27)13-26-12-15(2)23-21(18)26/h4-6,11-13,17,24,27H,7-10H2,1-3H3/t17-/m1/s1 | | Definition date: | 2021-12-03 | | Last modified: | 2021-12-31 | | Release date: | 2022-01-05 | | Identifier: | ~{N}-(2-hydroxyethyl)-~{N},2-dimethyl-8-[[(4~{R})-5-methyl-3,4-dihydro-2~{H}-chromen-4-yl]amino]imidazo[1,2-a]pyridine-6-carboxamide |
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 | | 8CE | | Name: | Soraprazan | | Formula: | C21 H25 N3 O3 | | SMILES: | COCCO[CH]1[CH](O)[CH](Nc2c1ccn3c(C)c(C)nc23)c4ccccc4 | | InChi: | InChI=1S/C21H25N3O3/c1-13-14(2)24-10-9-16-18(21(24)22-13)23-17(15-7-5-4-6-8-15)19(25)20(16)27-12-11-26-3/h4-10,17,19-20,23,25H,11-12H2,1-3H3/t17-,19-,20-/m1/s1 | | Definition date: | 2021-12-03 | | Last modified: | 2021-12-31 | | Release date: | 2022-01-05 | | Identifier: | (7~{R},8~{R},9~{R})-7-(2-methoxyethoxy)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol |
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 | | 8NF | | Name: | 5-amino-2,4-dimethylpyridine | | Formula: | C7 H10 N2 | | SMILES: | Cc1cc(C)c(N)cn1 | | InChi: | InChI=1S/C7H10N2/c1-5-3-6(2)9-4-7(5)8/h3-4H,8H2,1-2H3 | | Definition date: | 2021-12-21 | | Last modified: | 2021-12-31 | | Release date: | 2022-01-05 | | Identifier: | 4,6-dimethylpyridin-3-amine |
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 | | UD9 | | Name: | (2R,3S,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) | | Formula: | C17 H27 N3 O17 P2 | | SMILES: | O=C1C=CN(C(=O)N1)C1OC(COP(=O)(O)OP(=O)(O)OC2OC(CO)C(O)C(O)C2NC(C)=O)C(O)C1O | | InChi: | InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10+,11-,12-,13-,14-,15-,16-/m1/s1 | | Synonyms: | UDP-N-acetyl-alpha-D-mannosamine | | Definition date: | 2021-06-03 | | Last modified: | 2021-12-24 | | Release date: | 2021-12-29 | | Identifier: | (2R,3S,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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 | | 1K8 | | Name: | 3-chloranyl-2-piperazin-1-yl-quinoline | | Formula: | C13 H14 Cl N3 | | SMILES: | Clc1cc2ccccc2nc1N3CCNCC3 | | InChi: | InChI=1S/C13H14ClN3/c14-11-9-10-3-1-2-4-12(10)16-13(11)17-7-5-15-6-8-17/h1-4,9,15H,5-8H2 | | Synonyms: | BDM88855 | | Definition date: | 2021-06-13 | | Last modified: | 2021-12-24 | | Release date: | 2021-12-29 | | Identifier: | 3-chloranyl-2-piperazin-1-yl-quinoline |
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 | | A5G | | Name: | 1-[(4S)-5-(2,4-difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-amine | | Formula: | C16 H17 F2 N5 S | | SMILES: | Fc1ccc(c2cnc3sc(nn23)N2CCC(C)(N)CC2)c(F)c1 | | InChi: | InChI=1S/C16H17F2N5S/c1-16(19)4-6-22(7-5-16)15-21-23-13(9-20-14(23)24-15)11-3-2-10(17)8-12(11)18/h2-3,8-9H,4-7,19H2,1H3 | | Synonyms: | INE963 | | Definition date: | 2021-11-08 | | Last modified: | 2021-12-24 | | Release date: | 2021-12-29 | | Identifier: | 1-[(4S)-5-(2,4-difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-amine |
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 | | 1RI | | Name: | 3-phenoxy-~{N}-[(~{E})-(5-pyrimidin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide | | Formula: | C22 H16 N4 O3 S | | SMILES: | O=C(NN=Cc1oc(Sc2ncccn2)cc1)c3cccc(Oc4ccccc4)c3 | | InChi: | InChI=1S/C22H16N4O3S/c27-21(16-6-4-9-18(14-16)28-17-7-2-1-3-8-17)26-25-15-19-10-11-20(29-19)30-22-23-12-5-13-24-22/h1-15H,(H,26,27)/b25-15+ | | Definition date: | 2021-07-06 | | Last modified: | 2021-12-24 | | Release date: | 2021-12-29 | | Identifier: | 3-phenoxy-~{N}-[(~{E})-(5-pyrimidin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide |
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 | | 1SI | | Name: | 3-fluoranyl-~{N}-[(~{E})-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide | | Formula: | C17 H12 F N3 O2 S | | SMILES: | Fc1cccc(c1)C(=O)NN=Cc2oc(Sc3ccccn3)cc2 | | InChi: | InChI=1S/C17H12FN3O2S/c18-13-5-3-4-12(10-13)17(22)21-20-11-14-7-8-16(23-14)24-15-6-1-2-9-19-15/h1-11H,(H,21,22)/b20-11+ | | Definition date: | 2021-07-06 | | Last modified: | 2021-12-24 | | Release date: | 2021-12-29 | | Identifier: | 3-fluoranyl-~{N}-[(~{E})-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide |
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 | | 5TI | | Name: | 5-[3-(4-methoxyphenyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione | | Formula: | C14 H12 N2 O4 | | SMILES: | COc1ccc(C=CC=C2C(=O)NC(=O)NC2=O)cc1 | | InChi: | InChI=1S/C14H12N2O4/c1-20-10-7-5-9(6-8-10)3-2-4-11-12(17)15-14(19)16-13(11)18/h2-8H,1H3,(H2,15,16,17,18,19) | | Definition date: | 2021-08-24 | | Last modified: | 2021-12-24 | | Release date: | 2021-12-29 | | Identifier: | 5-[3-(4-methoxyphenyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione |
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 | | 4IX | | Name: | (2R,3R,4S,5S,6R)-2-[4-[1-[3-[6-[(Z)-hydroxyiminomethyl]-5-oxidanyl-pyridin-2-yl]propyl]-1,2,3-triazol-4-yl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | | Formula: | C21 H31 N5 O8 | | SMILES: | OC[CH]1O[CH](OCCCCc2cn(CCCc3ccc(O)c(C=NO)n3)nn2)[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C21H31N5O8/c27-12-17-18(29)19(30)20(31)21(34-17)33-9-2-1-4-14-11-26(25-24-14)8-3-5-13-6-7-16(28)15(23-13)10-22-32/h6-7,10-11,17-21,27-32H,1-5,8-9,12H2/b22-10-/t17-,18-,19+,20-,21-/m1/s1 | | Definition date: | 2021-07-02 | | Last modified: | 2021-12-24 | | Release date: | 2021-12-29 | | Identifier: | (2~{R},3~{R},4~{S},5~{S},6~{R})-2-[4-[1-[3-[6-[(~{Z})-hydroxyiminomethyl]-5-oxidanyl-pyridin-2-yl]propyl]-1,2,3-triazol-4-yl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
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 | | EIJ | | Name: | (2S)-1-{[(S)-hydroxy{[(1s,2R,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate | | Formula: | C47 H83 O13 P | | SMILES: | OP(=O)(OC1C(O)C(O)C(O)C(O)C1O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC | | InChi: | InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,39,42-47,50-54H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,55,56)/b13-11+,19-17+,24-22+,30-28+/t39-,42-,43-,44+,45-,46+,47-/m0/s1 | | Definition date: | 2021-12-06 | | Last modified: | 2021-12-24 | | Release date: | 2021-12-29 | | Identifier: | (2S)-1-{[(S)-hydroxy{[(1s,2R,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate |
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 | | 05C | | Name: | 7-(8-methylnaphthalen-1-yl)-4-[(2~{R})-2-methylpiperazin-1-yl]-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine | | Formula: | C29 H38 N6 O | | SMILES: | C[CH]1CNCCN1c2nc(OC[CH]3CCCN3C)nc4CN(CCc24)c5cccc6cccc(C)c56 | | InChi: | InChI=1S/C29H38N6O/c1-20-7-4-8-22-9-5-11-26(27(20)22)34-15-12-24-25(18-34)31-29(36-19-23-10-6-14-33(23)3)32-28(24)35-16-13-30-17-21(35)2/h4-5,7-9,11,21,23,30H,6,10,12-19H2,1-3H3/t21-,23+/m1/s1 | | Definition date: | 2021-06-01 | | Last modified: | 2021-12-24 | | Release date: | 2021-12-29 | | Identifier: | 7-(8-methylnaphthalen-1-yl)-4-[(2~{R})-2-methylpiperazin-1-yl]-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine |
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