![R6R R6R](https://data.pdbj.org/pdbjplus/data/cc/svg/R6R.svg) | R6R | Name: | 3-nitro-~{N}-[2-[2-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]ethyl]indazol-5-yl]benzamide | Formula: | C27 H24 N6 O5 | SMILES: | O=C(Cn1cc2cc(NC(=O)c3cccc(c3)[N](=O)=O)ccc2n1)N4CCN(CC4)C(=O)c5ccccc5 | InChi: | InChI=1S/C27H24N6O5/c34-25(30-11-13-31(14-12-30)27(36)19-5-2-1-3-6-19)18-32-17-21-15-22(9-10-24(21)29-32)28-26(35)20-7-4-8-23(16-20)33(37)38/h1-10,15-17H,11-14,18H2,(H,28,35) | Definition date: | 2022-11-23 | Last modified: | 2024-01-26 | Release date: | 2024-01-31 | Identifier: | 3-nitro-~{N}-[2-[2-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]ethyl]indazol-5-yl]benzamide |
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![R73 R73](https://data.pdbj.org/pdbjplus/data/cc/svg/R73.svg) | R73 | Name: | ~{N}-[2,3-dimethyl-6-(1~{H}-pyrazol-5-yl)benzimidazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide | Formula: | C19 H15 F3 N6 O | SMILES: | Cn1c(C)nc2cc(c3[nH]ncc3)c(NC(=O)c4cccc(n4)C(F)(F)F)cc12 | InChi: | InChI=1S/C19H15F3N6O/c1-10-24-15-8-11(12-6-7-23-27-12)14(9-16(15)28(10)2)26-18(29)13-4-3-5-17(25-13)19(20,21)22/h3-9H,1-2H3,(H,23,27)(H,26,29) | Definition date: | 2022-11-23 | Last modified: | 2024-01-26 | Release date: | 2024-01-31 | Identifier: | ~{N}-[2,3-dimethyl-6-(1~{H}-pyrazol-5-yl)benzimidazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide |
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![BJ3 BJ3](https://data.pdbj.org/pdbjplus/data/cc/svg/BJ3.svg) | BJ3 | Name: | ~{N}-[(2~{R})-1-[[(2~{S})-1-[[(2~{S})-1-[[(1~{R})-4-carbamimidamido-1-diphenoxyphosphoryl-butyl]amino]-3-[(3~{S})-2,3-dihydro-1~{H}-indol-3-yl]-1-oxidanylidene-propan-2-yl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-6-[5-[(4~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanamide | Formula: | C62 H84 N11 O9 P S | SMILES: | NC(=N)NCCC[CH](NC(=O)[CH](C[CH]1CNc2ccccc12)NC(=O)[CH](CC3CCCCC3)NC(=O)[CH](Cc4ccccc4)NC(=O)CCCCCNC(=O)CCCCC5SCC6NC(=O)NC56)[P](=O)(Oc7ccccc7)Oc8ccccc8 | InChi: | InChI=1S/C62H84N11O9PS/c63-61(64)66-36-20-34-56(83(80,81-45-25-10-3-11-26-45)82-46-27-12-4-13-28-46)72-60(78)51(39-44-40-67-48-30-16-15-29-47(44)48)70-59(77)50(38-43-23-8-2-9-24-43)69-58(76)49(37-42-21-6-1-7-22-42)68-55(75)33-14-5-19-35-65-54(74)32-18-17-31-53-57-52(41-84-53)71-62(79)73-57/h1,3-4,6-7,10-13,15-16,21-22,25-30,43-44,49-53,56-57,67H,2,5,8-9,14,17-20,23-24,31-41H2,(H,65,74)(H,68,75)(H,69,76)(H,70,77)(H,72,78)(H4,63,64,66)(H2,71,73,79)/t44-,49-,50+,51+,52?,53?,56-,57?/m1/s1 | Definition date: | 2021-12-08 | Last modified: | 2024-01-25 | Release date: | 2022-11-09 | Identifier: | ~{N}-[(2~{R})-1-[[(2~{S})-1-[[(2~{S})-1-[[(1~{R})-4-carbamimidamido-1-diphenoxyphosphoryl-butyl]amino]-3-[(3~{S})-2,3-dihydro-1~{H}-indol-3-yl]-1-oxidanylidene-propan-2-yl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-6-[5-(2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanamide |
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![BQG BQG](https://data.pdbj.org/pdbjplus/data/cc/svg/BQG.svg) | BQG | Name: | (2~{R})-~{N}-[(2~{S})-1-[[(2~{S})-1-[[(1~{R})-4-carbamimidamido-1-diphenoxyphosphoryl-butyl]amino]-3-[(3~{S})-2,3-dihydro-1~{H}-indol-3-yl]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenylmethoxy-propan-2-yl]-2-formamido-3-phenyl-propanamide | Formula: | C63 H80 N11 O10 P S | SMILES: | NC(=N)NCCC[CH](NC(=O)[CH](C[CH]1CNc2ccccc12)NC(=O)[CH](COCc3ccccc3)NC(=O)[CH](Cc4ccccc4)NC(=O)CCCCCNC(=O)CCCCC5SCC6NC(=O)NC56)[P](=O)(Oc7ccccc7)Oc8ccccc8 | InChi: | InChI=1S/C63H80N11O10PS/c64-62(65)67-36-20-34-57(85(81,83-46-25-10-3-11-26-46)84-47-27-12-4-13-28-47)73-60(78)51(38-45-39-68-49-30-16-15-29-48(45)49)70-61(79)52(41-82-40-44-23-8-2-9-24-44)71-59(77)50(37-43-21-6-1-7-22-43)69-56(76)33-14-5-19-35-66-55(75)32-18-17-31-54-58-53(42-86-54)72-63(80)74-58/h1-4,6-13,15-16,21-30,45,50-54,57-58,68H,5,14,17-20,31-42H2,(H,66,75)(H,69,76)(H,70,79)(H,71,77)(H,73,78)(H4,64,65,67)(H2,72,74,80)/t45-,50-,51+,52+,53?,54?,57-,58?/m1/s1 | Definition date: | 2021-12-08 | Last modified: | 2024-01-25 | Release date: | 2022-10-26 | Identifier: | ~{N}-[(2~{R})-1-[[(2~{S})-1-[[(2~{S})-1-[[(1~{R})-4-carbamimidamido-1-diphenoxyphosphoryl-butyl]amino]-3-[(3~{S})-2,3-dihydro-1~{H}-indol-3-yl]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenylmethoxy-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-6-[5-(2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanamide |
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![S3X S3X](https://data.pdbj.org/pdbjplus/data/cc/svg/S3X.svg) | S3X | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-(2-{[(1S)-1-(4-nitrophenyl)ethyl]amino}-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | Formula: | C29 H26 Cl N5 O4 | SMILES: | [O-][N+](=O)c1ccc(cc1)C(C)NC(=O)CN1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C29H26ClN5O4/c1-18(19-7-10-23(11-8-19)35(38)39)32-28(36)17-34-15-21-6-9-22(30)12-25(21)26(16-34)29(37)33-27-14-31-13-20-4-2-3-5-24(20)27/h2-14,18,26H,15-17H2,1H3,(H,32,36)(H,33,37)/t18-,26+/m0/s1 | Definition date: | 2023-08-22 | Last modified: | 2024-01-23 | Release date: | 2023-11-08 | Identifier: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-(2-{[(1S)-1-(4-nitrophenyl)ethyl]amino}-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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![V8D V8D](https://data.pdbj.org/pdbjplus/data/cc/svg/V8D.svg) | V8D | Name: | Etomidate | Formula: | C14 H16 N2 O2 | SMILES: | C(C)(n1c(cnc1)C(OCC)=O)c2ccccc2 | InChi: | InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1 | Definition date: | 2020-07-14 | Last modified: | 2024-01-23 | Release date: | 2020-09-09 | Identifier: | ethyl 1-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxylate |
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![SPD SPD](https://data.pdbj.org/pdbjplus/data/cc/svg/SPD.svg) | SPD | Name: | SPERMIDINE | Formula: | C7 H19 N3 | SMILES: | NCCCNCCCCN | InChi: | InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2 | Synonyms: | N-(2-AMINO-PROPYL)-1,4-DIAMINOBUTANE | Definition date: | 1999-07-08 | Last modified: | 2024-01-23 | Identifier: | N-(3-aminopropyl)butane-1,4-diamine |
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![EL5 EL5](https://data.pdbj.org/pdbjplus/data/cc/svg/EL5.svg) | EL5 | Name: | 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid | Formula: | C33 H36 N4 O6 | SMILES: | CC=C1C(=C/C2=N/C(=Cc3[NH]c(/C=C4/NC(=O)C(C=C)=C4C)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)/NC(=O)C1C | InChi: | InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,19,34H,2,9-12H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b20-7+,26-13+,27-14-,29-15-/t19-/m0/s1 | Synonyms: | biliverdin, bound form at Pfr state | Definition date: | 2018-03-26 | Last modified: | 2024-01-23 | Release date: | 2018-11-28 | Identifier: | 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid |
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![PWR PWR](https://data.pdbj.org/pdbjplus/data/cc/svg/PWR.svg) | PWR | Name: | (4R)-6-chloro-N-(2-oxo-2lambda~5~-isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide | Formula: | C19 H15 Cl N2 O3 | SMILES: | [O-][n+]1cc2ccccc2c(c1)NC(=O)C1CCOc2ccc(Cl)cc21 | InChi: | InChI=1S/C19H15ClN2O3/c20-13-5-6-18-16(9-13)15(7-8-25-18)19(23)21-17-11-22(24)10-12-3-1-2-4-14(12)17/h1-6,9-11,15H,7-8H2,(H,21,23)/t15-/m1/s1 | Definition date: | 2023-08-18 | Last modified: | 2024-01-23 | Release date: | 2023-11-08 | Identifier: | (4R)-6-chloro-N-(2-oxo-2lambda~5~-isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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![YLN YLN](https://data.pdbj.org/pdbjplus/data/cc/svg/YLN.svg) | YLN | Name: | bis[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-bis(oxidanyl)boranuide | Formula: | C10 H10 B F6 N4 O2 | SMILES: | Cn1nc(cc1[B-](O)(O)c2cc(nn2C)C(F)(F)F)C(F)(F)F | InChi: | InChI=1S/C10H10BF6N4O2/c1-20-7(3-5(18-20)9(12,13)14)11(22,23)8-4-6(10(15,16)17)19-21(8)2/h3-4,22-23H,1-2H3/q-1 | Definition date: | 2023-06-19 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | bis[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-bis(oxidanyl)boranuide |
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![YLZ YLZ](https://data.pdbj.org/pdbjplus/data/cc/svg/YLZ.svg) | YLZ | Name: | [(2~{R})-2,3-bis(oxidanyl)propoxy]-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]borinic acid | Formula: | C8 H12 B F3 N2 O4 | SMILES: | Cn1nc(cc1B(O)OC[CH](O)CO)C(F)(F)F | InChi: | InChI=1S/C8H12BF3N2O4/c1-14-7(2-6(13-14)8(10,11)12)9(17)18-4-5(16)3-15/h2,5,15-17H,3-4H2,1H3 | Definition date: | 2023-06-19 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | [(2~{R})-2,3-bis(oxidanyl)propoxy]-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]borinic acid |
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![YMK YMK](https://data.pdbj.org/pdbjplus/data/cc/svg/YMK.svg) | YMK | Name: | (2~{R})-3-bis[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]boranyloxypropane-1,2-diol | Formula: | C13 H15 B F6 N4 O3 | SMILES: | Cn1nc(cc1B(OC[CH](O)CO)c2cc(nn2C)C(F)(F)F)C(F)(F)F | InChi: | InChI=1S/C13H15BF6N4O3/c1-23-10(3-8(21-23)12(15,16)17)14(27-6-7(26)5-25)11-4-9(13(18,19)20)22-24(11)2/h3-4,7,25-26H,5-6H2,1-2H3/t7-/m1/s1 | Definition date: | 2023-06-19 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | (2~{R})-3-bis[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]boranyloxypropane-1,2-diol |
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![Y45 Y45](https://data.pdbj.org/pdbjplus/data/cc/svg/Y45.svg) | Y45 | Name: | Agrocinopine D-like (C2-C2 linked; with two alpha-D-glucopyranoses) | Formula: | C12 H23 O14 P | SMILES: | OC[CH]1O[CH](O)[CH](O[P](O)(=O)O[CH]2[CH](O)O[CH](CO)[CH](O)[CH]2O)[CH](O)[CH]1O | InChi: | InChI=1S/C12H23O14P/c13-1-3-5(15)7(17)9(11(19)23-3)25-27(21,22)26-10-8(18)6(16)4(2-14)24-12(10)20/h3-20H,1-2H2,(H,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11+,12+/m1/s1 | Synonyms: | Agrocinopine D-like | Definition date: | 2023-06-09 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | bis[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate |
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![Y4H Y4H](https://data.pdbj.org/pdbjplus/data/cc/svg/Y4H.svg) | Y4H | Name: | Agrocinopine D-like (C2-C2 linked; with an alpha and beta-D-glucopyranose) | Formula: | C12 H23 O14 P | SMILES: | OC[CH]1O[CH](O)[CH](O[P](O)(=O)O[CH]2[CH](O)O[CH](CO)[CH](O)[CH]2O)[CH](O)[CH]1O | InChi: | InChI=1S/C12H23O14P/c13-1-3-5(15)7(17)9(11(19)23-3)25-27(21,22)26-10-8(18)6(16)4(2-14)24-12(10)20/h3-20H,1-2H2,(H,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12+/m1/s1 | Synonyms: | Agrocinopine D-like | Definition date: | 2023-06-09 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | [(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] [(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate |
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![VDF VDF](https://data.pdbj.org/pdbjplus/data/cc/svg/VDF.svg) | VDF | Name: | 2-O-phosphono-beta-L-arabinopyranose | Formula: | C5 H11 O8 P | SMILES: | O[CH]1CO[CH](O)[CH](O[P](O)(O)=O)[CH]1O | InChi: | InChI=1S/C5H11O8P/c6-2-1-12-5(8)4(3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4+,5-/m0/s1 | Synonyms: | 2-O-phosphono-beta-L-arabinose | Definition date: | 2023-03-01 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | [(2~{S},3~{R},4~{S},5~{S})-2,4,5-tris(oxidanyl)oxan-3-yl] dihydrogen phosphate |
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![UKU UKU](https://data.pdbj.org/pdbjplus/data/cc/svg/UKU.svg) | UKU | Name: | [(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-N-[9-[(2R,3S,5R)-5-[[[(2R,3S)-4-methyl-2,3-bis(oxidanyl)pentanoyl]amino]-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]purin-6-yl]phosphonamidic acid | Formula: | C21 H34 N6 O16 P2 | SMILES: | CC(C)[CH](O)[CH](O)C(=O)N[P](O)(=O)O[CH]1C[CH](O)[CH](O1)n2cnc3c(N[P](O)(=O)O[CH]4[CH](O)O[CH](CO)[CH](O)[CH]4O)ncnc23 | InChi: | InChI=1S/C21H34N6O16P2/c1-7(2)12(30)15(33)19(34)26-45(38,39)42-10-3-8(29)20(41-10)27-6-24-11-17(22-5-23-18(11)27)25-44(36,37)43-16-14(32)13(31)9(4-28)40-21(16)35/h5-10,12-16,20-21,28-33,35H,3-4H2,1-2H3,(H2,26,34,38,39)(H2,22,23,25,36,37)/t8-,9+,10+,12-,13+,14-,15+,16+,20+,21-/m0/s1 | Synonyms: | Agrocin 84 (alpha-D-glucopyranose form) | Definition date: | 2023-02-07 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | [(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-~{N}-[9-[(2~{R},3~{S},5~{R})-5-[[[(2~{R},3~{S})-4-methyl-2,3-bis(oxidanyl)pentanoyl]amino]-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]purin-6-yl]phosphonamidic acid |
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![Y8X Y8X](https://data.pdbj.org/pdbjplus/data/cc/svg/Y8X.svg) | Y8X | Name: | (2S)-5-chloro-2-(3-methylphenyl)-2,3-dihydroquinazolin-4(1H)-one | Formula: | C15 H13 Cl N2 O | SMILES: | Cc1cccc(c1)C1Nc2cccc(Cl)c2C(=O)N1 | InChi: | InChI=1S/C15H13ClN2O/c1-9-4-2-5-10(8-9)14-17-12-7-3-6-11(16)13(12)15(19)18-14/h2-8,14,17H,1H3,(H,18,19)/t14-/m0/s1 | Definition date: | 2023-01-12 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | (2S)-5-chloro-2-(3-methylphenyl)-2,3-dihydroquinazolin-4(1H)-one |
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![XBF XBF](https://data.pdbj.org/pdbjplus/data/cc/svg/XBF.svg) | XBF | Name: | ~{N}-methyl-~{N}-octyl-3,4,5-tris(oxidanyl)benzamide | Formula: | C16 H25 N O4 | SMILES: | CCCCCCCCN(C)C(=O)c1cc(O)c(O)c(O)c1 | InChi: | InChI=1S/C16H25NO4/c1-3-4-5-6-7-8-9-17(2)16(21)12-10-13(18)15(20)14(19)11-12/h10-11,18-20H,3-9H2,1-2H3 | Definition date: | 2023-10-27 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | ~{N}-methyl-~{N}-octyl-3,4,5-tris(oxidanyl)benzamide |
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![VWE VWE](https://data.pdbj.org/pdbjplus/data/cc/svg/VWE.svg) | VWE | Name: | 2-fluoranyl-5-sulfo-benzoic acid | Formula: | C7 H5 F O5 S | SMILES: | OC(=O)c1cc(ccc1F)[S](O)(=O)=O | InChi: | InChI=1S/C7H5FO5S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3H,(H,9,10)(H,11,12,13) | Definition date: | 2023-04-12 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | 2-fluoranyl-5-sulfo-benzoic acid |
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![YAT YAT](https://data.pdbj.org/pdbjplus/data/cc/svg/YAT.svg) | YAT | Name: | emetine | Formula: | C29 H40 N2 O4 | SMILES: | COc1cc2CCNC(CC3CC4c5cc(OC)c(OC)cc5CCN4CC3CC)c2cc1OC | InChi: | InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m0/s1 | Synonyms: | (2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine | Definition date: | 2023-01-20 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | (5S)-6',7',10,11-tetramethoxyemetan |
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![VWT VWT](https://data.pdbj.org/pdbjplus/data/cc/svg/VWT.svg) | VWT | Name: | 4-cyanobenzenesulfonic acid | Formula: | C7 H5 N O3 S | SMILES: | O[S](=O)(=O)c1ccc(cc1)C#N | InChi: | InChI=1S/C7H5NO3S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,(H,9,10,11) | Definition date: | 2023-04-12 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | 4-cyanobenzenesulfonic acid |
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![YBE YBE](https://data.pdbj.org/pdbjplus/data/cc/svg/YBE.svg) | YBE | Name: | tert-butyl [(1R,4s)-4-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-6-oxopiperidin-2-yl]-1H-benzimidazol-1-yl}cyclohexyl]carbamate | Formula: | C28 H37 N5 O4 | SMILES: | Cc1noc(C)c1c1cc2nc(C3CCCC(=O)N3)n(C3CCC(NC(=O)OC(C)(C)C)CC3)c2cc1 | InChi: | InChI=1S/C28H37N5O4/c1-16-25(17(2)37-32-16)18-9-14-23-22(15-18)31-26(21-7-6-8-24(34)30-21)33(23)20-12-10-19(11-13-20)29-27(35)36-28(3,4)5/h9,14-15,19-21H,6-8,10-13H2,1-5H3,(H,29,35)(H,30,34)/t19-,20+,21-/m0/s1 | Definition date: | 2023-01-23 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | tert-butyl [(1R,4s)-4-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-6-oxopiperidin-2-yl]-1H-benzimidazol-1-yl}cyclohexyl]carbamate |
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![YBO YBO](https://data.pdbj.org/pdbjplus/data/cc/svg/YBO.svg) | YBO | Name: | (2P)-2-{5-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid | Formula: | C24 H20 F2 N4 O4 S2 | SMILES: | NS(=O)(=O)c1ccc(cc1F)Cc1c(nn(c2nc(cs2)C(=O)O)c1CC1CC1)c1ccc(F)cc1 | InChi: | InChI=1S/C24H20F2N4O4S2/c25-16-6-4-15(5-7-16)22-17(9-14-3-8-21(18(26)10-14)36(27,33)34)20(11-13-1-2-13)30(29-22)24-28-19(12-35-24)23(31)32/h3-8,10,12-13H,1-2,9,11H2,(H,31,32)(H2,27,33,34) | Definition date: | 2023-01-23 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | (2P)-2-{5-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid |
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![WX9 WX9](https://data.pdbj.org/pdbjplus/data/cc/svg/WX9.svg) | WX9 | Name: | 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one | Formula: | C26 H27 F3 N6 O | SMILES: | C[CH]1C[C](C1)(c2cccc(c2)C3=CC(=CN([CH](C)c4cnn(C)c4)C3=O)C(F)(F)F)c5nncn5C | InChi: | InChI=1S/C26H27F3N6O/c1-16-10-25(11-16,24-32-30-15-33(24)3)20-7-5-6-18(8-20)22-9-21(26(27,28)29)14-35(23(22)36)17(2)19-12-31-34(4)13-19/h5-9,12-17H,10-11H2,1-4H3/t16-,17-,25+/m0/s1 | Definition date: | 2023-10-17 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1-[(1~{S})-1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one |
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![VXZ VXZ](https://data.pdbj.org/pdbjplus/data/cc/svg/VXZ.svg) | VXZ | Name: | 2-azanyl-5-sulfo-benzoic acid | Formula: | C7 H7 N O5 S | SMILES: | Nc1ccc(cc1C(O)=O)[S](O)(=O)=O | InChi: | InChI=1S/C7H7NO5S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3H,8H2,(H,9,10)(H,11,12,13) | Definition date: | 2023-04-12 | Last modified: | 2024-01-19 | Release date: | 2024-01-24 | Identifier: | 2-azanyl-5-sulfo-benzoic acid |
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