![69X 69X](https://data.pdbj.org/pdbjplus/data/cc/svg/69X.svg) | 69X | Name: | 5'-O-[(S)-{[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy}(hydroxy)phosphoryl]adenosine | Formula: | C19 H23 N6 O9 P | SMILES: | Oc1ccc(cc1)CC(N)C(=O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O | InChi: | InChI=1S/C19H23N6O9P/c20-11(5-9-1-3-10(26)4-2-9)19(29)34-35(30,31)32-6-12-14(27)15(28)18(33-12)25-8-24-13-16(21)22-7-23-17(13)25/h1-4,7-8,11-12,14-15,18,26-28H,5-6,20H2,(H,30,31)(H2,21,22,23)/t11-,12+,14+,15+,18+/m0/s1 | Definition date: | 2021-08-02 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | 5'-O-[(S)-{[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy}(hydroxy)phosphoryl]adenosine |
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![M7I M7I](https://data.pdbj.org/pdbjplus/data/cc/svg/M7I.svg) | M7I | Name: | 5-{2-[4-(trifluoromethyl)phenyl]ethyl}-1,4-dihydropyrazine-2,3-dione | Formula: | C13 H11 F3 N2 O2 | SMILES: | O=C1NC(CCc2ccc(cc2)C(F)(F)F)=CNC1=O | InChi: | InChI=1S/C13H11F3N2O2/c14-13(15,16)9-4-1-8(2-5-9)3-6-10-7-17-11(19)12(20)18-10/h1-2,4-5,7H,3,6H2,(H,17,19)(H,18,20) | Definition date: | 2022-03-14 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | 5-{2-[4-(trifluoromethyl)phenyl]ethyl}-1,4-dihydropyrazine-2,3-dione |
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![M89 M89](https://data.pdbj.org/pdbjplus/data/cc/svg/M89.svg) | M89 | Name: | (3R)-3-(5,6-dioxo-1,4,5,6-tetrahydropyrazin-2-yl)-2,3-dihydro-1,4-benzoxathiine-7-carbonitrile | Formula: | C13 H9 N3 O3 S | SMILES: | O=C1NC=C(NC1=O)C1COc2cc(ccc2S1)C#N | InChi: | InChI=1S/C13H9N3O3S/c14-4-7-1-2-10-9(3-7)19-6-11(20-10)8-5-15-12(17)13(18)16-8/h1-3,5,11H,6H2,(H,15,17)(H,16,18)/t11-/m0/s1 | Definition date: | 2022-03-14 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | (3R)-3-(5,6-dioxo-1,4,5,6-tetrahydropyrazin-2-yl)-2,3-dihydro-1,4-benzoxathiine-7-carbonitrile |
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![OUO OUO](https://data.pdbj.org/pdbjplus/data/cc/svg/OUO.svg) | OUO | Name: | (2R)-2-(hydroxymethyl)pentanedioic acid | Formula: | C6 H10 O5 | SMILES: | OC(=O)C(CCC(O)=O)CO | InChi: | InChI=1S/C6H10O5/c7-3-4(6(10)11)1-2-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11)/t4-/m1/s1 | Definition date: | 2022-05-16 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | (2R)-2-(hydroxymethyl)pentanedioic acid |
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![7IT 7IT](https://data.pdbj.org/pdbjplus/data/cc/svg/7IT.svg) | 7IT | Name: | N~1~-{(1R,2R,3S)-2-(carbamimidamidomethyl)-3-[(3S)-3,4-dihydroxybutyl]-5-[(methylamino)methyl]-2,3-dihydro-1H-inden-1-yl}-N~2~-(4-chloro-3-fluorophenyl)ethanediamide | Formula: | C25 H32 Cl F N6 O4 | SMILES: | Clc1ccc(cc1F)NC(=O)C(=O)NC1c2ccc(cc2C(CCC(O)CO)C1CNC(=N)N)CNC | InChi: | InChI=1S/C25H32ClFN6O4/c1-30-10-13-2-5-17-18(8-13)16(6-4-15(35)12-34)19(11-31-25(28)29)22(17)33-24(37)23(36)32-14-3-7-20(26)21(27)9-14/h2-3,5,7-9,15-16,19,22,30,34-35H,4,6,10-12H2,1H3,(H,32,36)(H,33,37)(H4,28,29,31)/t15-,16+,19-,22-/m0/s1 | Definition date: | 2021-08-12 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | N~1~-{(1R,2R,3S)-2-(carbamimidamidomethyl)-3-[(3S)-3,4-dihydroxybutyl]-5-[(methylamino)methyl]-2,3-dihydro-1H-inden-1-yl}-N~2~-(4-chloro-3-fluorophenyl)ethanediamide |
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![7IW 7IW](https://data.pdbj.org/pdbjplus/data/cc/svg/7IW.svg) | 7IW | Name: | N~1~-{(1R,2R,3S)-2-(carbamimidamidomethyl)-3-[(3R)-3,4-dihydroxybutyl]-5-[(methylamino)methyl]-2,3-dihydro-1H-inden-1-yl}-N~2~-(4-chloro-3-fluorophenyl)ethanediamide | Formula: | C25 H32 Cl F N6 O4 | SMILES: | Clc1ccc(cc1F)NC(=O)C(=O)NC1c2ccc(cc2C(CCC(O)CO)C1CNC(=N)N)CNC | InChi: | InChI=1S/C25H32ClFN6O4/c1-30-10-13-2-5-17-18(8-13)16(6-4-15(35)12-34)19(11-31-25(28)29)22(17)33-24(37)23(36)32-14-3-7-20(26)21(27)9-14/h2-3,5,7-9,15-16,19,22,30,34-35H,4,6,10-12H2,1H3,(H,32,36)(H,33,37)(H4,28,29,31)/t15-,16-,19+,22+/m1/s1 | Definition date: | 2021-08-12 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | N~1~-{(1R,2R,3S)-2-(carbamimidamidomethyl)-3-[(3R)-3,4-dihydroxybutyl]-5-[(methylamino)methyl]-2,3-dihydro-1H-inden-1-yl}-N~2~-(4-chloro-3-fluorophenyl)ethanediamide |
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![09Y 09Y](https://data.pdbj.org/pdbjplus/data/cc/svg/09Y.svg) | 09Y | Name: | 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide | Formula: | C20 H20 N4 O4 | SMILES: | OC1=C(N=C(NC1=O)c1ccccc1C)C(=O)NCCc1ccnc(OC)c1 | InChi: | InChI=1S/C20H20N4O4/c1-12-5-3-4-6-14(12)18-23-16(17(25)20(27)24-18)19(26)22-10-8-13-7-9-21-15(11-13)28-2/h3-7,9,11,25H,8,10H2,1-2H3,(H,22,26)(H,23,24,27) | Definition date: | 2021-06-07 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide |
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![0AW 0AW](https://data.pdbj.org/pdbjplus/data/cc/svg/0AW.svg) | 0AW | Name: | ~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide | Formula: | C21 H19 N3 O2 S | SMILES: | NC(=N)c1sc(CNC(=O)c2ccc3OCCc3c2)c(c1)c4ccccc4 | InChi: | InChI=1S/C21H19N3O2S/c22-20(23)18-11-16(13-4-2-1-3-5-13)19(27-18)12-24-21(25)15-6-7-17-14(10-15)8-9-26-17/h1-7,10-11H,8-9,12H2,(H3,22,23)(H,24,25) | Definition date: | 2021-06-03 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | ~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide |
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![7OW 7OW](https://data.pdbj.org/pdbjplus/data/cc/svg/7OW.svg) | 7OW | Name: | 1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethyloxy)ethyl]benzimidazol-5-yl]pyridin-2-one | Formula: | C22 H24 F3 N3 O3 | SMILES: | CN1C=C(C=C(C)C1=O)c2ccc3nc(C4CCOCC4)n(CCOC(F)(F)F)c3c2 | InChi: | InChI=1S/C22H24F3N3O3/c1-14-11-17(13-27(2)21(14)29)16-3-4-18-19(12-16)28(7-10-31-22(23,24)25)20(26-18)15-5-8-30-9-6-15/h3-4,11-13,15H,5-10H2,1-2H3 | Definition date: | 2022-02-22 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | 1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethyloxy)ethyl]benzimidazol-5-yl]pyridin-2-one |
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![7SR 7SR](https://data.pdbj.org/pdbjplus/data/cc/svg/7SR.svg) | 7SR | Name: | (6S,9aS)-N-[(4-bromophenyl)methyl]-6-[(2S)-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide | Formula: | C30 H33 Br N4 O3 | SMILES: | CC[CH](C)[CH]1N2[CH](CN(Cc3cccc4ccccc34)C1=O)N(CCC2=O)C(=O)NCc5ccc(Br)cc5 | InChi: | InChI=1S/C30H33BrN4O3/c1-3-20(2)28-29(37)33(18-23-9-6-8-22-7-4-5-10-25(22)23)19-26-34(16-15-27(36)35(26)28)30(38)32-17-21-11-13-24(31)14-12-21/h4-14,20,26,28H,3,15-19H2,1-2H3,(H,32,38)/t20-,26+,28-/m0/s1 | Definition date: | 2021-10-21 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | (6~{S},9~{a}~{S})-~{N}-[(4-bromophenyl)methyl]-6-[(2~{S})-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide |
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![7U0 7U0](https://data.pdbj.org/pdbjplus/data/cc/svg/7U0.svg) | 7U0 | Name: | 4-(2-azanylethoxy)-N2,N6-bis[4-(2-pyrrolidin-1-ylethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide | Formula: | C39 H44 N8 O5 | SMILES: | NCCOc1cc(nc(c1)C(=O)Nc2cc(OCCN3CCCC3)c4ccccc4n2)C(=O)Nc5cc(OCCN6CCCC6)c7ccccc7n5 | InChi: | InChI=1S/C39H44N8O5/c40-13-20-50-27-23-32(38(48)44-36-25-34(28-9-1-3-11-30(28)42-36)51-21-18-46-14-5-6-15-46)41-33(24-27)39(49)45-37-26-35(29-10-2-4-12-31(29)43-37)52-22-19-47-16-7-8-17-47/h1-4,9-12,23-26H,5-8,13-22,40H2,(H,42,44,48)(H,43,45,49) | Definition date: | 2022-03-01 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | 4-(2-azanylethoxy)-~{N}2,~{N}6-bis[4-(2-pyrrolidin-1-ylethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide |
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![7V8 7V8](https://data.pdbj.org/pdbjplus/data/cc/svg/7V8.svg) | 7V8 | Name: | 4-(2-azanylethoxy)-N2,N6-bis[4-(2-azanylethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide | Formula: | C31 H32 N8 O5 | SMILES: | NCCOc1cc(nc(c1)C(=O)Nc2cc(OCCN)c3ccccc3n2)C(=O)Nc4cc(OCCN)c5ccccc5n4 | InChi: | InChI=1S/C31H32N8O5/c32-9-12-42-19-15-24(30(40)38-28-17-26(43-13-10-33)20-5-1-3-7-22(20)36-28)35-25(16-19)31(41)39-29-18-27(44-14-11-34)21-6-2-4-8-23(21)37-29/h1-8,15-18H,9-14,32-34H2,(H,36,38,40)(H,37,39,41) | Synonyms: | Pyridostatin | Definition date: | 2022-03-01 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | 4-(2-azanylethoxy)-~{N}2,~{N}6-bis[4-(2-azanylethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide |
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![7VH 7VH](https://data.pdbj.org/pdbjplus/data/cc/svg/7VH.svg) | 7VH | Name: | 5-chloranyl-N-[5-chloranyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-(1-ethylsulfonylindol-3-yl)pyrimidin-2-amine | Formula: | C31 H37 Cl2 N7 O3 S | SMILES: | CC[S](=O)(=O)n1cc(c2ccccc12)c3nc(Nc4cc(Cl)c(cc4OC)N5CCC(CC5)N6CCN(C)CC6)ncc3Cl | InChi: | InChI=1S/C31H37Cl2N7O3S/c1-4-44(41,42)40-20-23(22-7-5-6-8-27(22)40)30-25(33)19-34-31(36-30)35-26-17-24(32)28(18-29(26)43-3)39-11-9-21(10-12-39)38-15-13-37(2)14-16-38/h5-8,17-21H,4,9-16H2,1-3H3,(H,34,35,36) | Definition date: | 2021-10-27 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | 5-chloranyl-~{N}-[5-chloranyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-(1-ethylsulfonylindol-3-yl)pyrimidin-2-amine |
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![82L 82L](https://data.pdbj.org/pdbjplus/data/cc/svg/82L.svg) | 82L | Name: | 2-[(4-{6-[(2,4-difluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-[(1-ethyl-1H-imidazol-5-yl)methyl]-1H-benzimidazole-6-carboxylic acid | Formula: | C32 H32 F2 N6 O3 | SMILES: | Fc1ccc(COc2cccc(n2)C2CCN(Cc3nc4ccc(cc4n3Cc3cncn3CC)C(=O)O)CC2)c(F)c1 | InChi: | InChI=1S/C32H32F2N6O3/c1-2-39-20-35-16-25(39)17-40-29-14-22(32(41)42)7-9-28(29)36-30(40)18-38-12-10-21(11-13-38)27-4-3-5-31(37-27)43-19-23-6-8-24(33)15-26(23)34/h3-9,14-16,20-21H,2,10-13,17-19H2,1H3,(H,41,42) | Definition date: | 2021-09-03 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | 2-[(4-{6-[(2,4-difluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-[(1-ethyl-1H-imidazol-5-yl)methyl]-1H-benzimidazole-6-carboxylic acid |
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![O7T O7T](https://data.pdbj.org/pdbjplus/data/cc/svg/O7T.svg) | O7T | Name: | deltarasin | Formula: | C40 H37 N5 O | SMILES: | C1CC(CCN1)[CH](COc2ccc(cc2)c3nc4ccccc4n3Cc5ccccc5)n6c7ccccc7nc6c8ccccc8 | InChi: | InChI=1S/C40H37N5O/c1-3-11-29(12-4-1)27-44-36-17-9-7-15-34(36)42-39(44)32-19-21-33(22-20-32)46-28-38(30-23-25-41-26-24-30)45-37-18-10-8-16-35(37)43-40(45)31-13-5-2-6-14-31/h1-22,30,38,41H,23-28H2/t38-/m1/s1 | Synonyms: | 2-phenyl-1-[(1~{S})-2-[4-[1-(phenylmethyl)benzimidazol-2-yl]phenoxy]-1-piperidin-4-yl-ethyl]benzimidazole | Definition date: | 2020-02-18 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | 2-phenyl-1-[(1~{S})-2-[4-[1-(phenylmethyl)benzimidazol-2-yl]phenoxy]-1-piperidin-4-yl-ethyl]benzimidazole |
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![O7W O7W](https://data.pdbj.org/pdbjplus/data/cc/svg/O7W.svg) | O7W | Name: | ~{N}-[(4-ethylphenyl)methyl]-3-[5-[2-(1~{H}-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-~{N}-methyl-propanamide | Formula: | C25 H28 N4 O2 | SMILES: | CCc1ccc(CN(C)C(=O)CCc2oc(CCc3c[nH]c4ccccc34)nn2)cc1 | InChi: | InChI=1S/C25H28N4O2/c1-3-18-8-10-19(11-9-18)17-29(2)25(30)15-14-24-28-27-23(31-24)13-12-20-16-26-22-7-5-4-6-21(20)22/h4-11,16,26H,3,12-15,17H2,1-2H3 | Definition date: | 2020-02-18 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | ~{N}-[(4-ethylphenyl)methyl]-3-[5-[2-(1~{H}-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-~{N}-methyl-propanamide |
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![QY2 QY2](https://data.pdbj.org/pdbjplus/data/cc/svg/QY2.svg) | QY2 | Name: | 2-methoxyimino-5-(quinolin-6-ylmethyl)-1,3-thiazol-4-one | Formula: | C14 H13 N3 O2 S | SMILES: | CON=C1NC(=O)C(=[SH]1)Cc2ccc3ncccc3c2 | InChi: | InChI=1S/C14H13N3O2S/c1-19-17-14-16-13(18)12(20-14)8-9-4-5-11-10(7-9)3-2-6-15-11/h2-7,20H,8H2,1H3,(H,16,17,18) | Definition date: | 2020-08-20 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | 2-methoxyimino-5-(quinolin-6-ylmethyl)-1,3-thiazol-4-one |
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![H9L H9L](https://data.pdbj.org/pdbjplus/data/cc/svg/H9L.svg) | H9L | Name: | 4-methylsulfanyl-2-oxidanyl-butanoic acid | Formula: | C5 H10 O3 S | SMILES: | CSCC[CH](O)C(O)=O | InChi: | InChI=1S/C5H10O3S/c1-9-3-2-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8) | Definition date: | 2020-12-07 | Last modified: | 2022-05-27 | Release date: | 2022-06-01 | Identifier: | 4-methylsulfanyl-2-oxidanyl-butanoic acid |
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![VDH VDH](https://data.pdbj.org/pdbjplus/data/cc/svg/VDH.svg) | VDH | Name: | N-(5-ethyl-4-oxidanylidene-1,2,3,6-tetrahydro-1,5-benzodiazocin-8-yl)-7-methyl-2-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide | Formula: | C20 H22 N6 O3 | SMILES: | CCN1Cc2cc(NC(=O)C3=C(C)N4NC(=O)C=C4N=C3)ccc2NCCC1=O | InChi: | InChI=1S/C20H22N6O3/c1-3-25-11-13-8-14(4-5-16(13)21-7-6-19(25)28)23-20(29)15-10-22-17-9-18(27)24-26(17)12(15)2/h4-5,8-10,21H,3,6-7,11H2,1-2H3,(H,23,29)(H,24,27) | Synonyms: | N-(5-ethyl-4-oxo-1,2,3,4,5,6-hexahydro-1,5-benzodiazocin-8-yl)-7methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide | Definition date: | 2021-05-06 | Last modified: | 2022-05-27 | Release date: | 2022-06-01 | Identifier: | ~{N}-(5-ethyl-4-oxidanylidene-1,2,3,6-tetrahydro-1,5-benzodiazocin-8-yl)-7-methyl-2-oxidanylidene-1~{H}-pyrazolo[1,5-a]pyrimidine-6-carboxamide |
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![VE8 VE8](https://data.pdbj.org/pdbjplus/data/cc/svg/VE8.svg) | VE8 | Name: | Non-hydrolasable alarmone analogue | Formula: | C10 H19 N6 O19 P5 | SMILES: | NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](N[P](O)(=O)O[P](O)(O)=O)[CH]3O | InChi: | InChI=1S/C10H19N6O19P5/c11-10-13-7-5(8(18)14-10)12-2-16(7)9-6(17)4(15-36(19,20)33-37(21,22)23)3(32-9)1-31-39(27,28)35-40(29,30)34-38(24,25)26/h2-4,6,9,17H,1H2,(H,27,28)(H,29,30)(H2,15,19,20)(H2,21,22,23)(H2,24,25,26)(H3,11,13,14,18)/t3-,4-,6-,9-/m1/s1 | Synonyms: | ~{N}-[(2~{S},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-oxidanyl-2-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]-phosphonooxy-phosphonamidic acid | Definition date: | 2021-05-11 | Last modified: | 2022-05-27 | Release date: | 2022-06-01 | Identifier: | ~{N}-[(2~{S},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-oxidanyl-2-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]-phosphonooxy-phosphonamidic acid |
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![VF5 VF5](https://data.pdbj.org/pdbjplus/data/cc/svg/VF5.svg) | VF5 | Name: | [[(3~{a}~{R},4~{R},6~{R},6~{a}~{R})-4-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-2-oxidanyl-2-oxidanylidene-3~{a},4,6,6~{a}-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | Formula: | C10 H15 N5 O16 P4 | SMILES: | NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH]4O[P](O)(=O)O[CH]34 | InChi: | InChI=1S/C10H15N5O16P4/c11-10-13-7-4(8(16)14-10)12-2-15(7)9-6-5(28-34(22,23)29-6)3(27-9)1-26-33(20,21)31-35(24,25)30-32(17,18)19/h2-3,5-6,9H,1H2,(H,20,21)(H,22,23)(H,24,25)(H2,17,18,19)(H3,11,13,14,16)/t3-,5-,6-,9-/m1/s1 | Definition date: | 2021-05-13 | Last modified: | 2022-05-27 | Release date: | 2022-06-01 | Identifier: | [[(3~{a}~{R},4~{R},6~{R},6~{a}~{R})-4-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-2-oxidanyl-2-oxidanylidene-3~{a},4,6,6~{a}-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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![VGT VGT](https://data.pdbj.org/pdbjplus/data/cc/svg/VGT.svg) | VGT | Name: | 4-((2-hydroxy-3-(phenylselanyl)propyl)thio)benzenesulfonamide | Formula: | C15 H17 N O3 S2 Se | SMILES: | N[S](=O)(=O)c1ccc(SC[CH](O)C[Se]c2ccccc2)cc1 | InChi: | InChI=1S/C15H17NO3S2Se/c16-21(18,19)14-8-6-13(7-9-14)20-10-12(17)11-22-15-4-2-1-3-5-15/h1-9,12,17H,10-11H2,(H2,16,18,19)/t12-/m1/s1 | Definition date: | 2021-05-18 | Last modified: | 2022-05-27 | Release date: | 2022-06-01 | Identifier: | 4-[(2~{R})-2-oxidanyl-3-phenylselanyl-propyl]sulfanylbenzenesulfonamide |
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![VGZ VGZ](https://data.pdbj.org/pdbjplus/data/cc/svg/VGZ.svg) | VGZ | Name: | 4-acetamido-~{N}-(2-methoxyphenyl)benzamide | Formula: | C16 H16 N2 O3 | SMILES: | COc1ccccc1NC(=O)c2ccc(NC(C)=O)cc2 | InChi: | InChI=1S/C16H16N2O3/c1-11(19)17-13-9-7-12(8-10-13)16(20)18-14-5-3-4-6-15(14)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20) | Definition date: | 2021-05-18 | Last modified: | 2022-05-27 | Release date: | 2022-06-01 | Identifier: | 4-acetamido-~{N}-(2-methoxyphenyl)benzamide |
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![VJQ VJQ](https://data.pdbj.org/pdbjplus/data/cc/svg/VJQ.svg) | VJQ | Name: | 3-[(S)-dioxidanyl(phenyl)methyl]-4-methyl-2-oxidanyl-1H-1,4-benzodiazepin-5-one | Formula: | C17 H16 N2 O4 | SMILES: | CN1C(=O)c2ccccc2NC(=C1[CH](OO)c3ccccc3)O | InChi: | InChI=1S/C17H16N2O4/c1-19-14(15(23-22)11-7-3-2-4-8-11)16(20)18-13-10-6-5-9-12(13)17(19)21/h2-10,15,18,20,22H,1H3/t15-/m0/s1 | Definition date: | 2021-05-20 | Last modified: | 2022-05-27 | Release date: | 2022-06-01 | Identifier: | 3-[(~{S})-dioxidanyl(phenyl)methyl]-4-methyl-2-oxidanyl-1~{H}-1,4-benzodiazepin-5-one |
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![VJT VJT](https://data.pdbj.org/pdbjplus/data/cc/svg/VJT.svg) | VJT | Name: | (2-(4-(beta-L-fucopyranosylethynyl)phenyl)-2-methylpropan-1-amine | Formula: | C18 H25 N O4 | SMILES: | C[CH]1O[CH](C#Cc2ccc(cc2)C(C)(C)CN)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C18H25NO4/c1-11-15(20)17(22)16(21)14(23-11)9-6-12-4-7-13(8-5-12)18(2,3)10-19/h4-5,7-8,11,14-17,20-22H,10,19H2,1-3H3/t11-,14+,15+,16+,17+/m0/s1 | Synonyms: | (2~{R},3~{S},4~{R},5~{S},6~{S})-2-[2-[4-(1-azanyl-2-methyl-propan-2-yl)phenyl]ethynyl]-6-methyl-oxane-3,4,5-triol | Definition date: | 2021-05-20 | Last modified: | 2022-05-27 | Release date: | 2022-06-01 | Identifier: | (2~{R},3~{S},4~{R},5~{S},6~{S})-2-[2-[4-(1-azanyl-2-methyl-propan-2-yl)phenyl]ethynyl]-6-methyl-oxane-3,4,5-triol |
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