![W3R W3R](https://data.pdbj.org/pdbjplus/data/cc/svg/W3R.svg) | W3R | Name: | 5-(1H-indazol-7-yl)-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione | Formula: | C19 H16 N4 O2 | SMILES: | C[CH](N1C=C(C(=O)NC1=O)c2cccc3cn[nH]c23)c4ccccc4 | InChi: | InChI=1S/C19H16N4O2/c1-12(13-6-3-2-4-7-13)23-11-16(18(24)21-19(23)25)15-9-5-8-14-10-20-22-17(14)15/h2-12H,1H3,(H,20,22)(H,21,24,25)/t12-/m0/s1 | Definition date: | 2023-04-26 | Last modified: | 2023-06-30 | Release date: | 2023-07-05 | Identifier: | 5-(1~{H}-indazol-7-yl)-1-[(1~{S})-1-phenylethyl]pyrimidine-2,4-dione |
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![W3W W3W](https://data.pdbj.org/pdbjplus/data/cc/svg/W3W.svg) | W3W | Name: | 5-[3,5-bis(fluoranyl)phenyl]-1-[(1S)-1-[3-(1H-imidazol-5-yl)phenyl]ethyl]pyrimidine-2,4-dione | Formula: | C21 H16 F2 N4 O2 | SMILES: | C[CH](N1C=C(C(=O)NC1=O)c2cc(F)cc(F)c2)c3cccc(c3)c4[nH]cnc4 | InChi: | InChI=1S/C21H16F2N4O2/c1-12(13-3-2-4-14(5-13)19-9-24-11-25-19)27-10-18(20(28)26-21(27)29)15-6-16(22)8-17(23)7-15/h2-12H,1H3,(H,24,25)(H,26,28,29)/t12-/m0/s1 | Definition date: | 2023-04-26 | Last modified: | 2023-06-30 | Release date: | 2023-07-05 | Identifier: | 5-[3,5-bis(fluoranyl)phenyl]-1-[(1~{S})-1-[3-(1~{H}-imidazol-5-yl)phenyl]ethyl]pyrimidine-2,4-dione |
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![W40 W40](https://data.pdbj.org/pdbjplus/data/cc/svg/W40.svg) | W40 | Name: | 5-[3,5-bis(fluoranyl)phenyl]-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione | Formula: | C18 H14 F2 N2 O2 | SMILES: | C[CH](N1C=C(C(=O)NC1=O)c2cc(F)cc(F)c2)c3ccccc3 | InChi: | InChI=1S/C18H14F2N2O2/c1-11(12-5-3-2-4-6-12)22-10-16(17(23)21-18(22)24)13-7-14(19)9-15(20)8-13/h2-11H,1H3,(H,21,23,24)/t11-/m0/s1 | Definition date: | 2023-04-26 | Last modified: | 2023-06-30 | Release date: | 2023-07-05 | Identifier: | 5-[3,5-bis(fluoranyl)phenyl]-1-[(1~{S})-1-phenylethyl]pyrimidine-2,4-dione |
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![W49 W49](https://data.pdbj.org/pdbjplus/data/cc/svg/W49.svg) | W49 | Name: | 5-(3-ethynyl-5-fluoranyl-1H-indazol-7-yl)-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione | Formula: | C21 H15 F N4 O2 | SMILES: | C[CH](N1C=C(C(=O)NC1=O)c2cc(F)cc3c(n[nH]c23)C#C)c4ccccc4 | InChi: | InChI=1S/C21H15FN4O2/c1-3-18-16-10-14(22)9-15(19(16)25-24-18)17-11-26(21(28)23-20(17)27)12(2)13-7-5-4-6-8-13/h1,4-12H,2H3,(H,24,25)(H,23,27,28)/t12-/m0/s1 | Definition date: | 2023-04-26 | Last modified: | 2023-06-30 | Release date: | 2023-07-05 | Identifier: | 5-(3-ethynyl-5-fluoranyl-1~{H}-indazol-7-yl)-1-[(1~{S})-1-phenylethyl]pyrimidine-2,4-dione |
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![SE1 SE1](https://data.pdbj.org/pdbjplus/data/cc/svg/SE1.svg) | SE1 | Name: | 2-[(2-{[(3s,5s,7s)-adamantan-1-yl]sulfamoyl}phenyl)sulfanyl]benzoic acid | Formula: | C23 H25 N O4 S2 | SMILES: | O=C(O)c1ccccc1Sc1ccccc1S(=O)(=O)NC12CC3CC(C1)CC(C2)C3 | InChi: | InChI=1S/C23H25NO4S2/c25-22(26)18-5-1-2-6-19(18)29-20-7-3-4-8-21(20)30(27,28)24-23-12-15-9-16(13-23)11-17(10-15)14-23/h1-8,15-17,24H,9-14H2,(H,25,26)/t15-,16+,17-,23- | Definition date: | 2022-06-30 | Last modified: | 2023-06-30 | Release date: | 2023-07-05 | Identifier: | 2-[(2-{[(3s,5s,7s)-adamantan-1-yl]sulfamoyl}phenyl)sulfanyl]benzoic acid |
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![SJ9 SJ9](https://data.pdbj.org/pdbjplus/data/cc/svg/SJ9.svg) | SJ9 | Name: | 5-(benzylcarbamoyl)-1-[(4-chloro-3-fluorophenyl)methyl]-1H-indole-2-carboxylic acid | Formula: | C24 H18 Cl F N2 O3 | SMILES: | O=C(O)c1cc2cc(ccc2n1Cc1ccc(Cl)c(F)c1)C(=O)NCc1ccccc1 | InChi: | InChI=1S/C24H18ClFN2O3/c25-19-8-6-16(10-20(19)26)14-28-21-9-7-17(11-18(21)12-22(28)24(30)31)23(29)27-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,27,29)(H,30,31) | Definition date: | 2022-07-05 | Last modified: | 2023-06-30 | Release date: | 2023-07-05 | Identifier: | 5-(benzylcarbamoyl)-1-[(4-chloro-3-fluorophenyl)methyl]-1H-indole-2-carboxylic acid |
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![GH6 GH6](https://data.pdbj.org/pdbjplus/data/cc/svg/GH6.svg) | GH6 | Name: | 2-[[2,6-bis(chloranyl)-3-phenylmethoxy-phenyl]amino]pyridine-3-carboxylic acid | Formula: | C19 H14 Cl2 N2 O3 | SMILES: | OC(=O)c1cccnc1Nc2c(Cl)ccc(OCc3ccccc3)c2Cl | InChi: | InChI=1S/C19H14Cl2N2O3/c20-14-8-9-15(26-11-12-5-2-1-3-6-12)16(21)17(14)23-18-13(19(24)25)7-4-10-22-18/h1-10H,11H2,(H,22,23)(H,24,25) | Definition date: | 2022-05-08 | Last modified: | 2023-06-30 | Release date: | 2023-07-05 | Identifier: | 2-[[2,6-bis(chloranyl)-3-phenylmethoxy-phenyl]amino]pyridine-3-carboxylic acid |
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![TW6 TW6](https://data.pdbj.org/pdbjplus/data/cc/svg/TW6.svg) | TW6 | Name: | [(1'R)-6'-hydroxy-1'-{4-[2-(methylamino)ethoxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone | Formula: | C27 H28 N2 O3 | SMILES: | CNCCOc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1ccccc1 | InChi: | InChI=1S/C27H28N2O3/c1-28-15-16-32-23-10-7-19(8-11-23)25-24-12-9-22(30)17-21(24)18-27(13-14-27)29(25)26(31)20-5-3-2-4-6-20/h2-12,17,25,28,30H,13-16,18H2,1H3/t25-/m1/s1 | Definition date: | 2022-07-28 | Last modified: | 2023-06-30 | Release date: | 2023-07-05 | Identifier: | [(1'R)-6'-hydroxy-1'-{4-[2-(methylamino)ethoxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone |
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![9ZR 9ZR](https://data.pdbj.org/pdbjplus/data/cc/svg/9ZR.svg) | 9ZR | Name: | [(2~{R})-2-[(~{Z})-hexadec-9-enoyl]oxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] (~{Z})-docos-13-enoate | Formula: | C46 H89 N O8 P | SMILES: | C[N+](C)(C)CCOP(O)(=O)OCC(COC(=O)CCCCCCCCCCC/C=CCCCCCCCC)OC(=O)CCCCCCC/C=CCCCCCC | InChi: | InChI=1S/C46H88NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h17,19-21,44H,6-16,18,22-43H2,1-5H3/p+1/b19-17-,21-20-/t44-/m1/s1 | Definition date: | 2023-04-20 | Last modified: | 2023-06-30 | Release date: | 2023-07-05 | Identifier: | (4R,7R,22Z)-7-{[(9Z)-hexadec-9-enoyl]oxy}-4-hydroxy-N,N,N-trimethyl-4,10-dioxo-3,5,9-trioxa-4lambda~5~-phosphahentriacont-22-en-1-aminium |
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![K3C K3C](https://data.pdbj.org/pdbjplus/data/cc/svg/K3C.svg) | K3C | Name: | 2-phenylcyclohexa-2,5-diene-1,4-dione | Formula: | C12 H8 O2 | SMILES: | O=C1C=CC(=O)C(=C1)c2ccccc2 | InChi: | InChI=1S/C12H8O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H | Definition date: | 2022-09-06 | Last modified: | 2023-06-30 | Release date: | 2023-07-05 | Identifier: | 2-phenylcyclohexa-2,5-diene-1,4-dione |
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![IC4 IC4](https://data.pdbj.org/pdbjplus/data/cc/svg/IC4.svg) | IC4 | Name: | 13-methoxy-~{N},~{N}-dimethyl-2-oxa-4-thia-6,7$l^{4}-diaza-3$l^{3}-cupratricyclo[7.4.0.0^{3,7}]trideca-1(9),5,7,10,12-pentaen-5-amine | Formula: | C11 H13 Cu N3 O2 S | SMILES: | COc1cccc2C=[N+]3N=C(S[Cu-]3Oc12)N(C)C | InChi: | InChI=1S/C11H15N3O2S.Cu/c1-14(2)11(17)13-12-7-8-5-4-6-9(16-3)10(8)15 | Definition date: | 2022-06-25 | Last modified: | 2023-06-30 | Release date: | 2023-07-05 |
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![L2F L2F](https://data.pdbj.org/pdbjplus/data/cc/svg/L2F.svg) | L2F | Name: | N-(1-naphthylsulfonyl)-(L)-isoleucyl-(L)-tryptophanol | Formula: | C27 H31 N3 O4 S | SMILES: | CC[CH](C)[CH](N[S](=O)(=O)c1cccc2ccccc12)C(=O)N[CH](CO)Cc3c[nH]c4ccccc34 | InChi: | InChI=1S/C27H31N3O4S/c1-3-18(2)26(30-35(33,34)25-14-8-10-19-9-4-5-12-23(19)25)27(32)29-21(17-31)15-20-16-28-24-13-7-6-11-22(20)24/h4-14,16,18,21,26,28,30-31H,3,15,17H2,1-2H3,(H,29,32)/t18-,21-,26-/m0/s1 | Synonyms: | (2~{S},3~{S})-~{N}-[(2~{S})-1-(1~{H}-indol-3-yl)-3-oxidanyl-propan-2-yl]-3-methyl-2-(naphthalen-1-ylsulfonylamino)pentanamide | Definition date: | 2022-06-14 | Last modified: | 2023-06-30 | Release date: | 2023-07-05 | Identifier: | (2~{S},3~{S})-~{N}-[(2~{S})-1-(1~{H}-indol-3-yl)-3-oxidanyl-propan-2-yl]-3-methyl-2-(naphthalen-1-ylsulfonylamino)pentanamide |
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![L2X L2X](https://data.pdbj.org/pdbjplus/data/cc/svg/L2X.svg) | L2X | Name: | (2S,3S)-N3-[2-(4-hydroxyphenyl)ethyl]-N2-[(2S)-1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]oxirane-2,3-dicarboxamide | Formula: | C28 H29 N3 O5 | SMILES: | Oc1ccc(CCNC(=O)[CH]2O[CH]2C(=O)N[CH](Cc3ccccc3)C(=O)NCc4ccccc4)cc1 | InChi: | InChI=1S/C28H29N3O5/c32-22-13-11-19(12-14-22)15-16-29-27(34)24-25(36-24)28(35)31-23(17-20-7-3-1-4-8-20)26(33)30-18-21-9-5-2-6-10-21/h1-14,23-25,32H,15-18H2,(H,29,34)(H,30,33)(H,31,35)/t23-,24-,25-/m0/s1 | Synonyms: | (2S,3S)-2-N-[(1S)-1-(benzylcarbamoyl)-2-phenylethyl]-3-N-[2-(4-hydroxyphenyl)ethyl]oxirane-2,3-dicarboxamide | Definition date: | 2022-06-14 | Last modified: | 2023-06-30 | Release date: | 2023-07-05 | Identifier: | (2~{S},3~{S})-~{N}3-[2-(4-hydroxyphenyl)ethyl]-~{N}2-[(2~{S})-1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]oxirane-2,3-dicarboxamide |
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![L3F L3F](https://data.pdbj.org/pdbjplus/data/cc/svg/L3F.svg) | L3F | Name: | (phenylmethyl) N-[(2S)-3-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]carbamate | Formula: | C22 H28 N2 O4 | SMILES: | CC(C)[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](CO)Cc2ccccc2 | InChi: | InChI=1S/C22H28N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,16,19-20,25H,13-15H2,1-2H3,(H,23,26)(H,24,27)/t19-,20-/m0/s1 | Synonyms: | benzyl N-[(2S)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate | Definition date: | 2022-06-14 | Last modified: | 2023-06-30 | Release date: | 2023-07-05 | Identifier: | (phenylmethyl) ~{N}-[(2~{S})-3-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]carbamate |
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![LBJ LBJ](https://data.pdbj.org/pdbjplus/data/cc/svg/LBJ.svg) | LBJ | Name: | 6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole | Formula: | C12 H14 N2 O | SMILES: | COc1ccc2[nH]c3CNCCc3c2c1 | InChi: | InChI=1S/C12H14N2O/c1-15-8-2-3-11-10(6-8)9-4-5-13-7-12(9)14-11/h2-3,6,13-14H,4-5,7H2,1H3 | Definition date: | 2022-06-29 | Last modified: | 2023-06-30 | Release date: | 2023-07-05 | Identifier: | 6-methoxy-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole |
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![F96 F96](https://data.pdbj.org/pdbjplus/data/cc/svg/F96.svg) | F96 | Name: | 1-[6-(3-fluorophenyl)benzimidazol-1-yl]-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propan-2-one | Formula: | C21 H22 F N3 O2 | SMILES: | O[CH]1CCCN[CH]1CC(=O)Cn2cnc3ccc(cc23)c4cccc(F)c4 | InChi: | InChI=1S/C21H22FN3O2/c22-16-4-1-3-14(9-16)15-6-7-18-20(10-15)25(13-24-18)12-17(26)11-19-21(27)5-2-8-23-19/h1,3-4,6-7,9-10,13,19,21,23,27H,2,5,8,11-12H2/t19-,21+/m1/s1 | Definition date: | 2020-04-20 | Last modified: | 2023-06-30 | Release date: | 2023-07-05 | Identifier: | 1-[6-(3-fluorophenyl)benzimidazol-1-yl]-3-[(2~{R},3~{S})-3-oxidanylpiperidin-2-yl]propan-2-one |
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![F99 F99](https://data.pdbj.org/pdbjplus/data/cc/svg/F99.svg) | F99 | Name: | 1-(5-chloranyl-4-methyl-benzimidazol-1-yl)-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propan-2-one | Formula: | C16 H20 Cl N3 O2 | SMILES: | Cc1c(Cl)ccc2n(CC(=O)C[CH]3NCCC[CH]3O)cnc12 | InChi: | InChI=1S/C16H20ClN3O2/c1-10-12(17)4-5-14-16(10)19-9-20(14)8-11(21)7-13-15(22)3-2-6-18-13/h4-5,9,13,15,18,22H,2-3,6-8H2,1H3/t13-,15+/m1/s1 | Definition date: | 2020-04-20 | Last modified: | 2023-06-30 | Release date: | 2023-07-05 | Identifier: | 1-(5-chloranyl-4-methyl-benzimidazol-1-yl)-3-[(2~{R},3~{S})-3-oxidanylpiperidin-2-yl]propan-2-one |
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![F9C F9C](https://data.pdbj.org/pdbjplus/data/cc/svg/F9C.svg) | F9C | Name: | 1-(6-bromanyl-7-methyl-imidazo[4,5-b]pyridin-3-yl)-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propan-2-one | Formula: | C15 H19 Br N4 O2 | SMILES: | Cc1c(Br)cnc2n(CC(=O)C[CH]3NCCC[CH]3O)cnc12 | InChi: | InChI=1S/C15H19BrN4O2/c1-9-11(16)6-18-15-14(9)19-8-20(15)7-10(21)5-12-13(22)3-2-4-17-12/h6,8,12-13,17,22H,2-5,7H2,1H3/t12-,13+/m1/s1 | Definition date: | 2020-04-20 | Last modified: | 2023-06-30 | Release date: | 2023-07-05 | Identifier: | 1-(6-bromanyl-7-methyl-imidazo[4,5-b]pyridin-3-yl)-3-[(2~{R},3~{S})-3-oxidanylpiperidin-2-yl]propan-2-one |
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![F9O F9O](https://data.pdbj.org/pdbjplus/data/cc/svg/F9O.svg) | F9O | Name: | (2R,3S)-2-[3-[4,5-bis(chloranyl)benzimidazol-1-yl]propyl]piperidin-3-ol | Formula: | C15 H19 Cl2 N3 O | SMILES: | O[CH]1CCCN[CH]1CCCn2cnc3c(Cl)c(Cl)ccc23 | InChi: | InChI=1S/C15H19Cl2N3O/c16-10-5-6-12-15(14(10)17)19-9-20(12)8-2-3-11-13(21)4-1-7-18-11/h5-6,9,11,13,18,21H,1-4,7-8H2/t11-,13+/m1/s1 | Definition date: | 2020-04-20 | Last modified: | 2023-06-30 | Release date: | 2023-07-05 | Identifier: | (2~{R},3~{S})-2-[3-[4,5-bis(chloranyl)benzimidazol-1-yl]propyl]piperidin-3-ol |
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![NE0 NE0](https://data.pdbj.org/pdbjplus/data/cc/svg/NE0.svg) | NE0 | Name: | [[(2R,3R,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | Formula: | C9 H16 N2 O18 P4 | SMILES: | O[CH]1[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O[CH]([CH]1O[P](O)(O)=O)N2C=CC(=O)NC2=O | InChi: | InChI=1S/C9H16N2O18P4/c12-5-1-2-11(9(14)10-5)8-7(27-30(15,16)17)6(13)4(26-8)3-25-32(21,22)29-33(23,24)28-31(18,19)20/h1-2,4,6-8,13H,3H2,(H,21,22)(H,23,24)(H,10,12,14)(H2,15,16,17)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1 | Definition date: | 2023-01-12 | Last modified: | 2023-06-30 | Release date: | 2023-07-05 | Identifier: | [[(2~{R},3~{R},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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![NE4 NE4](https://data.pdbj.org/pdbjplus/data/cc/svg/NE4.svg) | NE4 | Name: | (8alpha,9beta,10alpha,13alpha)-kaur-16-en-18-oic acid | Formula: | C20 H30 O2 | SMILES: | C324C(C1(CCCC(C(O)=O)(C1CC2)C)C)CCC(C3)/C(=C)C4 | InChi: | InChI=1S/C20H30O2/c1-13-11-20-10-7-15-18(2,16(20)6-5-14(13)12-20)8-4-9-19(15,3)17(21)22/h14-16H,1,4-12H2,2-3H3,(H,21,22)/t14-,15+,16+,18-,19-,20-/m1/s1 | Synonyms: | ent-kaurenoic acid | Definition date: | 2019-05-14 | Last modified: | 2023-06-30 | Release date: | 2023-07-05 | Identifier: | (8alpha,9beta,10alpha,13alpha)-kaur-16-en-18-oic acid |
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![JGX JGX](https://data.pdbj.org/pdbjplus/data/cc/svg/JGX.svg) | JGX | Name: | Tamsulosin | Formula: | C20 H28 N2 O5 S | SMILES: | CCOc1ccccc1OCCN[CH](C)Cc2ccc(OC)c(c2)[S](N)(=O)=O | InChi: | InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1 | Definition date: | 2022-08-10 | Last modified: | 2023-06-30 | Release date: | 2023-07-05 | Identifier: | 5-[(2~{R})-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxy-benzenesulfonamide |
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![IKL IKL](https://data.pdbj.org/pdbjplus/data/cc/svg/IKL.svg) | IKL | Name: | 2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)ethanamide | Formula: | C20 H22 N4 O2 | SMILES: | Cc1cc(C)n(n1)c2ccc(CC(=O)Nc3noc4CCCCc34)cc2 | InChi: | InChI=1S/C20H22N4O2/c1-13-11-14(2)24(22-13)16-9-7-15(8-10-16)12-19(25)21-20-17-5-3-4-6-18(17)26-23-20/h7-11H,3-6,12H2,1-2H3,(H,21,23,25) | Definition date: | 2022-03-29 | Last modified: | 2023-06-30 | Release date: | 2023-07-05 | Identifier: | 2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)ethanamide |
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![R7L R7L](https://data.pdbj.org/pdbjplus/data/cc/svg/R7L.svg) | R7L | Name: | 2,6-dimethoxy-N-{4-methoxy-6-[(1H-pyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl}benzene-1-sulfonamide | Formula: | C20 H20 N4 O6 S | SMILES: | COc1cccc(OC)c1S(=O)(=O)Nc1noc2cc(cc(OC)c21)Cn1cccn1 | InChi: | InChI=1S/C20H20N4O6S/c1-27-14-6-4-7-15(28-2)19(14)31(25,26)23-20-18-16(29-3)10-13(11-17(18)30-22-20)12-24-9-5-8-21-24/h4-11H,12H2,1-3H3,(H,22,23) | Definition date: | 2022-06-22 | Last modified: | 2023-06-30 | Release date: | 2023-07-05 | Identifier: | 2,6-dimethoxy-N-{4-methoxy-6-[(1H-pyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl}benzene-1-sulfonamide |
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![UE6 UE6](https://data.pdbj.org/pdbjplus/data/cc/svg/UE6.svg) | UE6 | Name: | N-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethyl}-2-[(3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-3-(propan-2-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-4-yl]acetamide | Formula: | C34 H47 F N8 O7 | SMILES: | NCc1cn(nn1)CCNC(=O)CC1C=CC(=O)NCC=CC(C)=CC(O)CC(F)Cc2nc(co2)C(=O)N2CCCC2C(=O)OC1C(C)C | InChi: | InChI=1S/C34H47FN8O7/c1-21(2)32-23(15-30(46)38-11-13-42-19-25(18-36)40-41-42)8-9-29(45)37-10-4-6-22(3)14-26(44)16-24(35)17-31-39-27(20-49-31)33(47)43-12-5-7-28(43)34(48)50-32/h4,6,8-9,14,19-21,23-24,26,28,32,44H,5,7,10-13,15-18,36H2,1-3H3,(H,37,45)(H,38,46)/b6-4+,9-8+,22-14+/t23-,24+,26+,28+,32+/m0/s1 | Definition date: | 2022-08-17 | Last modified: | 2023-06-23 | Release date: | 2023-06-28 | Identifier: | N-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethyl}-2-[(3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-3-(propan-2-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-4-yl]acetamide |
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