![O9K O9K](https://data.pdbj.org/pdbjplus/data/cc/svg/O9K.svg) | O9K | Name: | [(1~{R},3~{R})-1-(4-methanoyl-1,3-thiazol-2-yl)-4-methyl-3-(methylamino)pentyl] ethanoate | Formula: | C13 H20 N2 O3 S | SMILES: | CN[CH](C[CH](OC(C)=O)c1scc(C=O)n1)C(C)C | InChi: | InChI=1S/C13H20N2O3S/c1-8(2)11(14-4)5-12(18-9(3)17)13-15-10(6-16)7-19-13/h6-8,11-12,14H,5H2,1-4H3/t11-,12-/m1/s1 | Definition date: | 2020-02-24 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | [(1~{R},3~{R})-1-(4-methanoyl-1,3-thiazol-2-yl)-4-methyl-3-(methylamino)pentyl] ethanoate |
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![O9N O9N](https://data.pdbj.org/pdbjplus/data/cc/svg/O9N.svg) | O9N | Name: | methyl (2~{S},4~{S})-2,4-bis(azanyl)-5-phenyl-pentanoate | Formula: | C12 H18 N2 O2 | SMILES: | COC(=O)[CH](N)C[CH](N)Cc1ccccc1 | InChi: | InChI=1S/C12H18N2O2/c1-16-12(15)11(14)8-10(13)7-9-5-3-2-4-6-9/h2-6,10-11H,7-8,13-14H2,1H3/t10-,11-/m0/s1 | Definition date: | 2020-02-24 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | methyl (2~{S},4~{S})-2,4-bis(azanyl)-5-phenyl-pentanoate |
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![OEH OEH](https://data.pdbj.org/pdbjplus/data/cc/svg/OEH.svg) | OEH | Name: | [9-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium | Formula: | C35 H43 Cl N3 O6 | SMILES: | CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4cc(ccc4C(O)=O)C(=O)NCCOCCOCCCCCCCl)=[N+](C)C)c1 | InChi: | InChI=1S/C35H42ClN3O6/c1-38(2)25-10-13-28-31(22-25)45-32-23-26(39(3)4)11-14-29(32)33(28)30-21-24(9-12-27(30)35(41)42)34(40)37-16-18-44-20-19-43-17-8-6-5-7-15-36/h9-14,21-23H,5-8,15-20H2,1-4H3,(H-,37,40,41,42)/p+1 | Definition date: | 2020-02-28 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | [9-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium |
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![OEK OEK](https://data.pdbj.org/pdbjplus/data/cc/svg/OEK.svg) | OEK | Name: | 4-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]-2-[3-(dimethylamino)-6-(dimethyl-$l^{4}-azanylidene)-10,10-dimethyl-anthracen-9-yl]benzoic acid | Formula: | C38 H49 Cl N3 O5 | SMILES: | CN(C)c1ccc2c(c1)C(C)(C)C3=CC(C=CC3=C2c4cc(ccc4C(O)=O)C(=O)NCCOCCOCCCCCCCl)=[N+](C)C | InChi: | InChI=1S/C38H48ClN3O5/c1-38(2)33-24-27(41(3)4)12-15-30(33)35(31-16-13-28(42(5)6)25-34(31)38)32-23-26(11-14-29(32)37(44)45)36(43)40-18-20-47-22-21-46-19-10-8-7-9-17-39/h11-16,23-25H,7-10,17-22H2,1-6H3,(H-,40,43,44,45)/p+1 | Definition date: | 2020-02-28 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | [10-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-7-(dimethylamino)-9,9-dimethyl-anthracen-2-ylidene]-dimethyl-azanium |
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![OEN OEN](https://data.pdbj.org/pdbjplus/data/cc/svg/OEN.svg) | OEN | Name: | Biapenem Imine hydrolysis product | Formula: | C15 H21 N4 O5 S | SMILES: | C[CH](O)[CH](C(O)=O)C1=N[CH]([CH](S[CH]2Cn3cnc[n+]3C2)[CH]1C)C(O)=O | InChi: | InChI=1S/C15H20N4O5S/c1-7-11(10(8(2)20)14(21)22)17-12(15(23)24)13(7)25-9-3-18-5-16-6-19(18)4-9/h5-10,12-13,20H,3-4H2,1-2H3,(H-,21,22,23,24)/p+1/t7-,8-,10-,12+,13+/m1/s1 | Definition date: | 2020-03-02 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | (4~{R})-5-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-[[(6~{S})-6,7-dihydro-5~{H}-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-yl]sulfanyl]-4-methyl-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid |
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![OEQ OEQ](https://data.pdbj.org/pdbjplus/data/cc/svg/OEQ.svg) | OEQ | Name: | Biapenem Enamine hydrolysis product | Formula: | C15 H21 N4 O5 S | SMILES: | C[CH](O)[CH]([CH]1NC(=C(S[CH]2Cn3cnc[n+]3C2)[CH]1C)C(O)=O)C(O)=O | InChi: | InChI=1S/C15H20N4O5S/c1-7-11(10(8(2)20)14(21)22)17-12(15(23)24)13(7)25-9-3-18-5-16-6-19(18)4-9/h5-11,17,20H,3-4H2,1-2H3,(H-,21,22,23,24)/p+1/t7-,8-,10-,11-/m1/s1 | Synonyms: | (2~{S},3~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[[(6~{R})-6,7-dihydro-5~{H}-pyrazolo[1,2
-a][1,2,4]triazol-4-ium-6-yl]sulfanyl]-3-methyl-2,3-dihydro-1~{H}-pyrrole-5-carboxylic acid | Definition date: | 2020-03-02 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | (2~{S},3~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[[(6~{R})-6,7-dihydro-5~{H}-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-yl]sulfanyl]-3-methyl-2,3-dihydro-1~{H}-pyrrole-5-carboxylic acid |
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![OEZ OEZ](https://data.pdbj.org/pdbjplus/data/cc/svg/OEZ.svg) | OEZ | Name: | ~{N}-cyclobutyl-3-(6-ethanoylpyrrolo[1,2-a]pyrimidin-8-yl)-4-methoxy-benzamide | Formula: | C21 H21 N3 O3 | SMILES: | COc1ccc(cc1c2cc(n3cccnc23)C(C)=O)C(=O)NC4CCC4 | InChi: | InChI=1S/C21H21N3O3/c1-13(25)18-12-17(20-22-9-4-10-24(18)20)16-11-14(7-8-19(16)27-2)21(26)23-15-5-3-6-15/h4,7-12,15H,3,5-6H2,1-2H3,(H,23,26) | Definition date: | 2020-03-02 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | ~{N}-cyclobutyl-3-(6-ethanoylpyrrolo[1,2-a]pyrimidin-8-yl)-4-methoxy-benzamide |
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![OF5 OF5](https://data.pdbj.org/pdbjplus/data/cc/svg/OF5.svg) | OF5 | Name: | 1-[8-(2,5-dimethoxyphenyl)pyrrolo[1,2-a]pyrimidin-6-yl]ethanone | Formula: | C17 H16 N2 O3 | SMILES: | COc1ccc(OC)c(c1)c2cc(n3cccnc23)C(C)=O | InChi: | InChI=1S/C17H16N2O3/c1-11(20)15-10-14(17-18-7-4-8-19(15)17)13-9-12(21-2)5-6-16(13)22-3/h4-10H,1-3H3 | Definition date: | 2020-03-02 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | 1-[8-(2,5-dimethoxyphenyl)pyrrolo[1,2-a]pyrimidin-6-yl]ethanone |
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![OF8 OF8](https://data.pdbj.org/pdbjplus/data/cc/svg/OF8.svg) | OF8 | Name: | 1-(8-pyridin-2-ylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone | Formula: | C14 H11 N3 O | SMILES: | CC(=O)c1cc(c2ccccn2)c3ncccn13 | InChi: | InChI=1S/C14H11N3O/c1-10(18)13-9-11(12-5-2-3-6-15-12)14-16-7-4-8-17(13)14/h2-9H,1H3 | Definition date: | 2020-03-02 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | 1-(8-pyridin-2-ylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone |
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![OFK OFK](https://data.pdbj.org/pdbjplus/data/cc/svg/OFK.svg) | OFK | Name: | 1-(8-phenylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone | Formula: | C15 H12 N2 O | SMILES: | CC(=O)c1cc(c2ccccc2)c3ncccn13 | InChi: | InChI=1S/C15H12N2O/c1-11(18)14-10-13(12-6-3-2-4-7-12)15-16-8-5-9-17(14)15/h2-10H,1H3 | Definition date: | 2020-03-02 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | 1-(8-phenylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone |
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![OGB OGB](https://data.pdbj.org/pdbjplus/data/cc/svg/OGB.svg) | OGB | Name: | methyl isoquinoline-5-carboxylate | Formula: | C11 H9 N O2 | SMILES: | COC(=O)c1cccc2cnccc12 | InChi: | InChI=1S/C11H9NO2/c1-14-11(13)10-4-2-3-8-7-12-6-5-9(8)10/h2-7H,1H3 | Definition date: | 2020-03-04 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | methyl isoquinoline-5-carboxylate |
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![OGQ OGQ](https://data.pdbj.org/pdbjplus/data/cc/svg/OGQ.svg) | OGQ | Name: | [9-[2-carboxy-5-[(4-methylphenyl)methylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium | Formula: | C33 H32 N3 O4 | SMILES: | CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4cc(ccc4C(O)=O)C(=O)NCc5ccc(C)cc5)=[N+](C)C)c1 | InChi: | InChI=1S/C33H31N3O4/c1-20-6-8-21(9-7-20)19-34-32(37)22-10-13-25(33(38)39)28(16-22)31-26-14-11-23(35(2)3)17-29(26)40-30-18-24(36(4)5)12-15-27(30)31/h6-18H,19H2,1-5H3,(H-,34,37,38,39)/p+1 | Definition date: | 2020-03-06 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | [9-[2-carboxy-5-[(4-methylphenyl)methylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium |
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![OH5 OH5](https://data.pdbj.org/pdbjplus/data/cc/svg/OH5.svg) | OH5 | Name: | (2~{S},4~{R})-4-azanyl-2-methyl-5-phenyl-pentanoic acid | Formula: | C12 H17 N O2 | SMILES: | C[CH](C[CH](N)Cc1ccccc1)C(O)=O | InChi: | InChI=1S/C12H17NO2/c1-9(12(14)15)7-11(13)8-10-5-3-2-4-6-10/h2-6,9,11H,7-8,13H2,1H3,(H,14,15)/t9-,11+/m0/s1 | Definition date: | 2020-03-10 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | (2~{S},4~{R})-4-azanyl-2-methyl-5-phenyl-pentanoic acid |
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![Q3M Q3M](https://data.pdbj.org/pdbjplus/data/cc/svg/Q3M.svg) | Q3M | Name: | Methyl 2-(acetylamino)-2-deoxy-1-thio-alpha-D-galactopyranose | Formula: | C10 H19 N O4 S | SMILES: | CSC1CC(CO)C(O)C(O)C1NC(C)=O | InChi: | InChI=1S/C10H19NO4S/c1-5(13)11-8-7(16-2)3-6(4-12)9(14)10(8)15/h6-10,12,14-15H,3-4H2,1-2H3,(H,11,13)/t6-,7+,8+,9+,10-/m1/s1 | Synonyms: | N-[(1R,2R,3S,4R,6S)-2,3-dihydroxy-4-(hydroxymethyl)-6-(methylsulfanyl)cyclohexyl]acetamide | Definition date: | 2019-09-16 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | N-[(1R,2R,3S,4R,6S)-2,3-dihydroxy-4-(hydroxymethyl)-6-(methylsulfanyl)cyclohexyl]acetamide |
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![YDD YDD](https://data.pdbj.org/pdbjplus/data/cc/svg/YDD.svg) | YDD | Name: | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5S)-3,4-bis(oxidanyl)-5-tetradecoxy-oxolan-2-yl]methyl hydrogen phosphate | Formula: | C29 H51 N5 O14 P2 | SMILES: | CCCCCCCCCCCCCCO[CH]1O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)[CH](O)[CH]1O | InChi: | InChI=1S/C29H51N5O14P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-43-29-25(38)23(36)20(47-29)16-45-50(41,42)48-49(39,40)44-15-19-22(35)24(37)28(46-19)34-18-33-21-26(30)31-17-32-27(21)34/h17-20,22-25,28-29,35-38H,2-16H2,1H3,(H,39,40)(H,41,42)(H2,30,31,32)/t19-,20-,22-,23-,24-,25-,28-,29+/m1/s1 | Definition date: | 2019-11-08 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S})-3,4-bis(oxidanyl)-5-tetradecoxy-oxolan-2-yl]methyl hydrogen phosphate |
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![YOY YOY](https://data.pdbj.org/pdbjplus/data/cc/svg/YOY.svg) | YOY | Name: | [[(2S,3aS,5S,6R,6aS)-2-dodecyl-6-oxidanyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | Formula: | C28 H47 N5 O14 P2 | SMILES: | CCCCCCCCCCCC[CH]1O[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O1 | InChi: | InChI=1S/C28H47N5O14P2/c1-2-3-4-5-6-7-8-9-10-11-12-19-45-24-22(35)18(44-28(24)46-19)14-42-49(39,40)47-48(37,38)41-13-17-21(34)23(36)27(43-17)33-16-32-20-25(29)30-15-31-26(20)33/h15-19,21-24,27-28,34-36H,2-14H2,1H3,(H,37,38)(H,39,40)(H2,29,30,31)/t17-,18+,19+,21-,22-,23-,24+,27-,28+/m1/s1 | Definition date: | 2019-11-08 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | [[(2~{S},3~{a}~{S},5~{S},6~{R},6~{a}~{S})-2-dodecyl-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate |
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![HUF HUF](https://data.pdbj.org/pdbjplus/data/cc/svg/HUF.svg) | HUF | Name: | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4S)-5-[5-methanoyl-7,8-dimethyl-2,4-bis(oxidanylidene)-1H-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate | Formula: | C28 H35 N9 O16 P2 | SMILES: | Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C6=C(N(C=O)c2cc1C)C(=O)NC(=O)N6 | InChi: | InChI=1S/C28H35N9O16P2/c1-11-3-13-14(4-12(11)2)37(10-38)19-25(33-28(45)34-26(19)44)35(13)5-15(39)20(41)16(40)6-50-54(46,47)53-55(48,49)51-7-17-21(42)22(43)27(52-17)36-9-32-18-23(29)30-8-31-24(18)36/h3-4,8-10,15-17,20-22,27,39-43H,5-7H2,1-2H3,(H,46,47)(H,48,49)(H2,29,30,31)(H2,33,34,44,45)/t15-,16+,17+,20-,21+,22+,27+/m0/s1 | Definition date: | 2021-02-02 | Last modified: | 2021-03-19 | Release date: | 2021-03-24 | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[5-methanoyl-7,8-dimethyl-2,4-bis(oxidanylidene)-1~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate |
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![G8C G8C](https://data.pdbj.org/pdbjplus/data/cc/svg/G8C.svg) | G8C | Name: | 1,2-Dioctanoyl-SN-Glycero-3-Phosphoethanolamine | Formula: | C21 H42 N O8 P | SMILES: | CCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCC | InChi: | InChI=1S/C21H42NO8P/c1-3-5-7-9-11-13-20(23)27-17-19(18-29-31(25,26)28-16-15-22)30-21(24)14-12-10-8-6-4-2/h19H,3-18,22H2,1-2H3,(H,25,26)/t19-/m1/s1 | Definition date: | 2020-08-05 | Last modified: | 2021-03-19 | Release date: | 2021-03-24 | Identifier: | [(2~{R})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-octanoyloxy-propyl] octanoate |
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![R7B R7B](https://data.pdbj.org/pdbjplus/data/cc/svg/R7B.svg) | R7B | Name: | 8-cyclohexyl-6~{H}-imidazo[1,2-c]pyrimidin-5-one | Formula: | C12 H15 N3 O | SMILES: | O=C1NC=C(C2CCCCC2)c3nccn13 | InChi: | InChI=1S/C12H15N3O/c16-12-14-8-10(9-4-2-1-3-5-9)11-13-6-7-15(11)12/h6-9H,1-5H2,(H,14,16) | Definition date: | 2020-09-14 | Last modified: | 2021-03-19 | Release date: | 2021-03-24 | Identifier: | 8-cyclohexyl-6~{H}-imidazo[1,2-c]pyrimidin-5-one |
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![R7K R7K](https://data.pdbj.org/pdbjplus/data/cc/svg/R7K.svg) | R7K | Name: | ~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-5-(hydroxymethyl)-1,4-bis(oxidanyl)-2-oxidanylidene-1,8-naphthyridine-3-carboxamide | Formula: | C17 H13 F2 N3 O5 | SMILES: | OCc1ccnc2N(O)C(=O)C(=C(O)c12)C(=O)NCc3ccc(F)cc3F | InChi: | InChI=1S/C17H13F2N3O5/c18-10-2-1-8(11(19)5-10)6-21-16(25)13-14(24)12-9(7-23)3-4-20-15(12)22(27)17(13)26/h1-5,23-24,27H,6-7H2,(H,21,25) | Definition date: | 2020-09-17 | Last modified: | 2021-03-19 | Release date: | 2021-03-24 | Identifier: | ~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-5-(hydroxymethyl)-1,4-bis(oxidanyl)-2-oxidanylidene-1,8-naphthyridine-3-carboxamide |
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![R7N R7N](https://data.pdbj.org/pdbjplus/data/cc/svg/R7N.svg) | R7N | Name: | 4-azanyl-~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[2-(2-morpholin-4-ylethylsulfonyl)ethyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide | Formula: | C24 H27 F2 N5 O6 S | SMILES: | NC1=C(C(=O)NCc2ccc(F)cc2F)C(=O)N(O)c3ncc(CC[S](=O)(=O)CCN4CCOCC4)cc13 | InChi: | InChI=1S/C24H27F2N5O6S/c25-17-2-1-16(19(26)12-17)14-29-23(32)20-21(27)18-11-15(13-28-22(18)31(34)24(20)33)3-9-38(35,36)10-6-30-4-7-37-8-5-30/h1-2,11-13,34H,3-10,14,27H2,(H,29,32) | Synonyms: | INSTI XZ447 | Definition date: | 2020-09-17 | Last modified: | 2021-03-19 | Release date: | 2021-03-24 | Identifier: | 4-azanyl-~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[2-(2-morpholin-4-ylethylsulfonyl)ethyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide |
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![S2Q S2Q](https://data.pdbj.org/pdbjplus/data/cc/svg/S2Q.svg) | S2Q | Name: | 3-propan-2-yl-~{N}-[(1~{R})-1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide | Formula: | C18 H20 N4 O4 S | SMILES: | CC(C)c1noc2ncc(cc12)C(=O)N[CH](C)c3cccc(c3)[S](N)(=O)=O | InChi: | InChI=1S/C18H20N4O4S/c1-10(2)16-15-8-13(9-20-18(15)26-22-16)17(23)21-11(3)12-5-4-6-14(7-12)27(19,24)25/h4-11H,1-3H3,(H,21,23)(H2,19,24,25)/t11-/m1/s1 | Definition date: | 2020-11-06 | Last modified: | 2021-03-19 | Release date: | 2021-03-24 | Identifier: | 3-propan-2-yl-~{N}-[(1~{R})-1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide |
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![S2W S2W](https://data.pdbj.org/pdbjplus/data/cc/svg/S2W.svg) | S2W | Name: | ~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-quinazolin-4-amine | Formula: | C18 H17 F3 N4 | SMILES: | C[CH](Nc1nc(C)nc2ccccc12)c3cc(N)cc(c3)C(F)(F)F | InChi: | InChI=1S/C18H17F3N4/c1-10(12-7-13(18(19,20)21)9-14(22)8-12)23-17-15-5-3-4-6-16(15)24-11(2)25-17/h3-10H,22H2,1-2H3,(H,23,24,25)/t10-/m1/s1 | Definition date: | 2020-11-06 | Last modified: | 2021-03-19 | Release date: | 2021-03-24 | Identifier: | ~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-quinazolin-4-amine |
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![S2Z S2Z](https://data.pdbj.org/pdbjplus/data/cc/svg/S2Z.svg) | S2Z | Name: | 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine | Formula: | C19 H21 N3 O2 | SMILES: | COc1cc2nc(C)nc(N[CH](C)c3ccccc3)c2cc1OC | InChi: | InChI=1S/C19H21N3O2/c1-12(14-8-6-5-7-9-14)20-19-15-10-17(23-3)18(24-4)11-16(15)21-13(2)22-19/h5-12H,1-4H3,(H,20,21,22)/t12-/m1/s1 | Definition date: | 2020-11-06 | Last modified: | 2021-03-19 | Release date: | 2021-03-24 | Identifier: | 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine |
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![S3Q S3Q](https://data.pdbj.org/pdbjplus/data/cc/svg/S3Q.svg) | S3Q | Name: | 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine | Formula: | C20 H20 F3 N3 O2 | SMILES: | COc1cc2nc(C)nc(N[CH](C)c3cccc(c3)C(F)(F)F)c2cc1OC | InChi: | InChI=1S/C20H20F3N3O2/c1-11(13-6-5-7-14(8-13)20(21,22)23)24-19-15-9-17(27-3)18(28-4)10-16(15)25-12(2)26-19/h5-11H,1-4H3,(H,24,25,26)/t11-/m1/s1 | Definition date: | 2020-11-06 | Last modified: | 2021-03-19 | Release date: | 2021-03-24 | Identifier: | 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine |
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