![83N 83N](https://data.pdbj.org/pdbjplus/data/cc/svg/83N.svg) | 83N | Name: | tert-butyl-N-[(2S)-1-[(2S,4S)-4-methoxy-2-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate | Formula: | C23 H40 N4 O7 | SMILES: | CO[CH]1C[CH](N(C1)C(=O)[CH](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[CH](CO)C[CH]2CCNC2=O | InChi: | InChI=1S/C23H40N4O7/c1-13(2)18(26-22(32)34-23(3,4)5)21(31)27-11-16(33-6)10-17(27)20(30)25-15(12-28)9-14-7-8-24-19(14)29/h13-18,28H,7-12H2,1-6H3,(H,24,29)(H,25,30)(H,26,32)/t14-,15-,16-,17-,18-/m0/s1 | Synonyms: | tert-butyl-N-[(2S)-1-[(2S,4S)-4-methoxy-2-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate | Definition date: | 2021-09-30 | Last modified: | 2023-04-28 | Release date: | 2023-05-03 | Identifier: | ~{tert}-butyl ~{N}-[(2~{S})-1-[(2~{S},4~{S})-4-methoxy-2-[[(2~{S})-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate |
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![83W 83W](https://data.pdbj.org/pdbjplus/data/cc/svg/83W.svg) | 83W | Name: | tert-butyl-N-[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-1-[(2S)-2-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamate | Formula: | C25 H44 N4 O7 | SMILES: | C[CH](OC(C)(C)C)[CH](NC(=O)OC(C)(C)C)C(=O)N1CCC[CH]1C(=O)N[CH](CO)C[CH]2CCNC2=O | InChi: | InChI=1S/C25H44N4O7/c1-15(35-24(2,3)4)19(28-23(34)36-25(5,6)7)22(33)29-12-8-9-18(29)21(32)27-17(14-30)13-16-10-11-26-20(16)31/h15-19,30H,8-14H2,1-7H3,(H,26,31)(H,27,32)(H,28,34)/t15-,16+,17+,18+,19+/m1/s1 | Synonyms: | tert-butyl-N-[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-1-[(2S)-2-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamate | Definition date: | 2021-09-30 | Last modified: | 2023-04-28 | Release date: | 2023-05-03 | Identifier: | ~{tert}-butyl ~{N}-[(2~{S},3~{R})-3-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-1-[(2~{S})-2-[[(2~{S})-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamate |
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![84C 84C](https://data.pdbj.org/pdbjplus/data/cc/svg/84C.svg) | 84C | Name: | tert-butyl-N-[(2S)-1-[(3S,3aS,6aR)-3-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate | Formula: | C25 H42 N4 O6 | SMILES: | CC(C)[CH](NC(=O)OC(C)(C)C)C(=O)N1C[CH]2CCC[CH]2[CH]1C(=O)N[CH](CO)C[CH]3CCNC3=O | InChi: | InChI=1S/C25H42N4O6/c1-14(2)19(28-24(34)35-25(3,4)5)23(33)29-12-16-7-6-8-18(16)20(29)22(32)27-17(13-30)11-15-9-10-26-21(15)31/h14-20,30H,6-13H2,1-5H3,(H,26,31)(H,27,32)(H,28,34)/t15-,16-,17-,18-,19-,20-/m0/s1 | Synonyms: | tert-butyl N-[(2S)-1-[(3S,3aS,6aR)-3-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate | Definition date: | 2021-09-30 | Last modified: | 2023-04-28 | Release date: | 2023-05-03 | Identifier: | ~{tert}-butyl ~{N}-[(2~{S})-1-[(3~{S},3~{a}~{S},6~{a}~{R})-3-[[(2~{S})-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate |
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![OVO OVO](https://data.pdbj.org/pdbjplus/data/cc/svg/OVO.svg) | OVO | Name: | 4-[4-(phenylmethyl)phenyl]-1,3-oxazol-2-amine | Formula: | C16 H14 N2 O | SMILES: | Nc1occ(n1)c2ccc(Cc3ccccc3)cc2 | InChi: | InChI=1S/C16H14N2O/c17-16-18-15(11-19-16)14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,17,18) | Synonyms: | 4-(4-benzylphenyl)-oxazol-2-amine | Definition date: | 2022-09-05 | Last modified: | 2023-04-28 | Release date: | 2023-05-03 | Identifier: | 4-[4-(phenylmethyl)phenyl]-1,3-oxazol-2-amine |
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![KTF KTF](https://data.pdbj.org/pdbjplus/data/cc/svg/KTF.svg) | KTF | Name: | (3R)-1-[(8S)-5-(4-cyclohexylphenyl)-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonyl]pyrrolidine-3-carbonitrile | Formula: | C24 H25 N5 O2 | SMILES: | N#CC1CCN(C1)C(=O)c1cnn2C(=O)C=C(Nc12)c1ccc(cc1)C1CCCCC1 | InChi: | InChI=1S/C24H25N5O2/c25-13-16-10-11-28(15-16)24(31)20-14-26-29-22(30)12-21(27-23(20)29)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h6-9,12,14,16-17,27H,1-5,10-11,15H2/t16-/m0/s1 | Definition date: | 2022-02-15 | Last modified: | 2023-04-28 | Release date: | 2023-05-03 | Identifier: | (3R)-1-[(8S)-5-(4-cyclohexylphenyl)-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonyl]pyrrolidine-3-carbonitrile |
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![KUI KUI](https://data.pdbj.org/pdbjplus/data/cc/svg/KUI.svg) | KUI | Name: | ethyl (8S)-7-oxo-5-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate | Formula: | C16 H12 F3 N3 O3 | SMILES: | FC(F)(F)c1ccc(cc1)C1=CC(=O)n2ncc(c2N1)C(=O)OCC | InChi: | InChI=1S/C16H12F3N3O3/c1-2-25-15(24)11-8-20-22-13(23)7-12(21-14(11)22)9-3-5-10(6-4-9)16(17,18)19/h3-8,21H,2H2,1H3 | Definition date: | 2022-02-15 | Last modified: | 2023-04-28 | Release date: | 2023-05-03 | Identifier: | ethyl (8S)-7-oxo-5-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate |
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![KUR KUR](https://data.pdbj.org/pdbjplus/data/cc/svg/KUR.svg) | KUR | Name: | (8S)-5-(4-cyclohexylphenyl)-3-[3-(fluoromethyl)azetidine-1-carbonyl]-2-(3-methylpyrazin-2-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one | Formula: | C28 H29 F N6 O2 | SMILES: | FCC1CN(C1)C(=O)c1c2NC(=CC(=O)n2nc1c1nccnc1C)c1ccc(cc1)C1CCCCC1 | InChi: | InChI=1S/C28H29FN6O2/c1-17-25(31-12-11-30-17)26-24(28(37)34-15-18(14-29)16-34)27-32-22(13-23(36)35(27)33-26)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h7-13,18-19,32H,2-6,14-16H2,1H3 | Definition date: | 2022-02-15 | Last modified: | 2023-04-28 | Release date: | 2023-05-03 | Identifier: | (8S)-5-(4-cyclohexylphenyl)-3-[3-(fluoromethyl)azetidine-1-carbonyl]-2-(3-methylpyrazin-2-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one |
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![GIH GIH](https://data.pdbj.org/pdbjplus/data/cc/svg/GIH.svg) | GIH | Name: | (2~{S},3~{S})-3-[[5-dimethoxyphosphoryl-4-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid | Formula: | C22 H25 F N5 O5 P | SMILES: | CO[P](=O)(OC)c1cnc(N[CH]2C3CCC(CC3)[CH]2C(O)=O)nc1c4c[nH]c5ncc(F)cc45 | InChi: | InChI=1S/C22H25FN5O5P/c1-32-34(31,33-2)16-10-26-22(27-18-12-5-3-11(4-6-12)17(18)21(29)30)28-19(16)15-9-25-20-14(15)7-13(23)8-24-20/h7-12,17-18H,3-6H2,1-2H3,(H,24,25)(H,29,30)(H,26,27,28)/t11-,12+,17-,18-/m0/s1 | Definition date: | 2022-05-10 | Last modified: | 2023-04-28 | Release date: | 2023-05-03 | Identifier: | (2~{S},3~{S})-3-[[5-dimethoxyphosphoryl-4-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid |
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![HB6 HB6](https://data.pdbj.org/pdbjplus/data/cc/svg/HB6.svg) | HB6 | Name: | 2-[[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]-[4-(2-diethoxyphosphorylethanoylamino)phenyl]sulfonyl-amino]ethanamide | Formula: | C33 H38 N5 O11 P S2 | SMILES: | CCO[P](=O)(CC(=O)Nc1ccc(cc1)[S](=O)(=O)N(CC(N)=O)c2ccc(N(CC(N)=O)[S](=O)(=O)c3ccc(OC)cc3)c4ccccc24)OCC | InChi: | InChI=1S/C33H38N5O11PS2/c1-4-48-50(42,49-5-2)22-33(41)36-23-10-14-25(15-11-23)51(43,44)37(20-31(34)39)29-18-19-30(28-9-7-6-8-27(28)29)38(21-32(35)40)52(45,46)26-16-12-24(47-3)13-17-26/h6-19H,4-5,20-22H2,1-3H3,(H2,34,39)(H2,35,40)(H,36,41) | Definition date: | 2022-05-25 | Last modified: | 2023-04-28 | Release date: | 2023-05-03 | Identifier: | 2-[[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]-[4-(2-diethoxyphosphorylethanoylamino)phenyl]sulfonyl-amino]ethanamide |
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![IKS IKS](https://data.pdbj.org/pdbjplus/data/cc/svg/IKS.svg) | IKS | Name: | [(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)selenolan-2-yl]methyl dihydrogen phosphate | Formula: | C9 H14 N3 O7 P Se | SMILES: | NC1=NC(=O)N(C=C1)[CH]2[Se][CH](CO[P](O)(O)=O)[CH](O)[CH]2O | InChi: | InChI=1S/C9H14N3O7PSe/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(21-8)3-19-20(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 | Definition date: | 2022-07-07 | Last modified: | 2023-04-28 | Release date: | 2023-05-03 | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)selenolan-2-yl]methyl dihydrogen phosphate |
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![ILK ILK](https://data.pdbj.org/pdbjplus/data/cc/svg/ILK.svg) | ILK | Name: | [(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)selenolan-2-yl]methyl dihydrogen phosphate | Formula: | C9 H13 N2 O8 P Se | SMILES: | O[CH]1[CH](O)[CH]([Se][CH]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O | InChi: | InChI=1S/C9H13N2O8PSe/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(21-8)3-19-20(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 | Definition date: | 2022-07-07 | Last modified: | 2023-04-28 | Release date: | 2023-05-03 | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)selenolan-2-yl]methyl dihydrogen phosphate |
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![O6C O6C](https://data.pdbj.org/pdbjplus/data/cc/svg/O6C.svg) | O6C | Name: | 1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-4-carboxamide | Formula: | C22 H34 Cl N3 O3 S2 | SMILES: | CN(C)CCSSCCNC(=O)C1CCN(CC1)C(=O)C(C)(C)Oc2ccc(Cl)cc2 | InChi: | InChI=1S/C22H34ClN3O3S2/c1-22(2,29-19-7-5-18(23)6-8-19)21(28)26-12-9-17(10-13-26)20(27)24-11-15-30-31-16-14-25(3)4/h5-8,17H,9-16H2,1-4H3,(H,24,27) | Definition date: | 2022-08-30 | Last modified: | 2023-04-21 | Release date: | 2023-04-26 | Identifier: | 1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-4-carboxamide |
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![UBK UBK](https://data.pdbj.org/pdbjplus/data/cc/svg/UBK.svg) | UBK | Name: | (2~{R},5~{S},12~{S})-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15-dimethyl-12-thiophen-2-yl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone | Formula: | C35 H41 N3 O8 S | SMILES: | COc1ccc(CC[CH]2OC(=O)[CH]3CCCCN3C(=O)[CH](NC(=O)C(C)(C)NC(=O)COc4cccc2c4)c5sccc5)cc1OC | InChi: | InChI=1S/C35H41N3O8S/c1-35(2)34(42)36-31(29-12-8-18-47-29)32(40)38-17-6-5-11-25(38)33(41)46-26(15-13-22-14-16-27(43-3)28(19-22)44-4)23-9-7-10-24(20-23)45-21-30(39)37-35/h7-10,12,14,16,18-20,25-26,31H,5-6,11,13,15,17,21H2,1-4H3,(H,36,42)(H,37,39)/t25-,26+,31+/m0/s1 | Definition date: | 2023-02-01 | Last modified: | 2023-04-21 | Release date: | 2023-04-26 | Identifier: | (2~{R},5~{S},12~{S})-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15-dimethyl-12-thiophen-2-yl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone |
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![UC0 UC0](https://data.pdbj.org/pdbjplus/data/cc/svg/UC0.svg) | UC0 | Name: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)pent-4-enoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid | Formula: | C34 H38 Cl N O8 S | SMILES: | COc1ccc(CC[CH](OC(=O)[CH]2CCCCN2C(=O)[CH](CC=C)c3sc(Cl)cc3)c4cccc(OCC(O)=O)c4)cc1OC | InChi: | InChI=1S/C34H38ClNO8S/c1-4-8-25(30-16-17-31(35)45-30)33(39)36-18-6-5-11-26(36)34(40)44-27(23-9-7-10-24(20-23)43-21-32(37)38)14-12-22-13-15-28(41-2)29(19-22)42-3/h4,7,9-10,13,15-17,19-20,25-27H,1,5-6,8,11-12,14,18,21H2,2-3H3,(H,37,38)/t25-,26+,27-/m1/s1 | Definition date: | 2023-02-01 | Last modified: | 2023-04-21 | Release date: | 2023-04-26 | Identifier: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)pent-4-enoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid |
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![UCF UCF](https://data.pdbj.org/pdbjplus/data/cc/svg/UCF.svg) | UCF | Name: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)butanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid | Formula: | C33 H38 Cl N O8 S | SMILES: | CC[CH](C(=O)N1CCCC[CH]1C(=O)O[CH](CCc2ccc(OC)c(OC)c2)c3cccc(OCC(O)=O)c3)c4sc(Cl)cc4 | InChi: | InChI=1S/C33H38ClNO8S/c1-4-24(29-15-16-30(34)44-29)32(38)35-17-6-5-10-25(35)33(39)43-26(22-8-7-9-23(19-22)42-20-31(36)37)13-11-21-12-14-27(40-2)28(18-21)41-3/h7-9,12,14-16,18-19,24-26H,4-6,10-11,13,17,20H2,1-3H3,(H,36,37)/t24-,25+,26-/m1/s1 | Definition date: | 2023-02-01 | Last modified: | 2023-04-21 | Release date: | 2023-04-26 | Identifier: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)butanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid |
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![UCO UCO](https://data.pdbj.org/pdbjplus/data/cc/svg/UCO.svg) | UCO | Name: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid | Formula: | C40 H44 Cl N O11 S | SMILES: | COc1ccc(CC[CH](OC(=O)[CH]2CCCCN2C(=O)[CH](c3sc(Cl)cc3)c4cc(OC)c(OC)c(OC)c4)c5cccc(OCC(O)=O)c5)cc1OC | InChi: | InChI=1S/C40H44ClNO11S/c1-47-30-15-13-24(19-31(30)48-2)12-14-29(25-9-8-10-27(20-25)52-23-36(43)44)53-40(46)28-11-6-7-18-42(28)39(45)37(34-16-17-35(41)54-34)26-21-32(49-3)38(51-5)33(22-26)50-4/h8-10,13,15-17,19-22,28-29,37H,6-7,11-12,14,18,23H2,1-5H3,(H,43,44)/t28-,29+,37+/m0/s1 | Definition date: | 2023-02-01 | Last modified: | 2023-04-21 | Release date: | 2023-04-26 | Identifier: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid |
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![VL9 VL9](https://data.pdbj.org/pdbjplus/data/cc/svg/VL9.svg) | VL9 | Name: | [(1~{S})-2-[3,5-bis(chloranyl)-1-oxidanyl-pyridin-4-yl]-1-(3,4-dimethoxyphenyl)ethyl] 5-[[[(1~{R})-2-[[(3~{R})-1-azabicyclo[2.2.2]octan-3-yl]oxy]-2-oxidanylidene-1-phenyl-ethyl]amino]methyl]thiophene-2-carboxylate | Formula: | C36 H38 Cl2 N3 O7 S | SMILES: | COc1ccc(cc1OC)[CH](Cc2c(Cl)c[n](O)cc2Cl)OC(=O)c3sc(CN[CH](C(=O)O[CH]4CN5CCC4CC5)c6ccccc6)cc3 | InChi: | InChI=1S/C36H38Cl2N3O7S/c1-45-29-10-8-24(16-31(29)46-2)30(17-26-27(37)19-41(44)20-28(26)38)47-35(42)33-11-9-25(49-33)18-39-34(23-6-4-3-5-7-23)36(43)48-32-21-40-14-12-22(32)13-15-40/h3-11,16,19-20,22,30,32,34,39,44H,12-15,17-18,21H2,1-2H3/t30-,32-,34+/m0/s1 | Definition date: | 2023-03-10 | Last modified: | 2023-04-21 | Release date: | 2023-04-26 | Identifier: | [(1~{S})-2-[3,5-bis(chloranyl)-1-oxidanyl-pyridin-4-yl]-1-(3,4-dimethoxyphenyl)ethyl] 5-[[[(1~{R})-2-[[(3~{R})-1-azabicyclo[2.2.2]octan-3-yl]oxy]-2-oxidanylidene-1-phenyl-ethyl]amino]methyl]thiophene-2-carboxylate |
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![UCT UCT](https://data.pdbj.org/pdbjplus/data/cc/svg/UCT.svg) | UCT | Name: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)propanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid | Formula: | C32 H36 Cl N O8 S | SMILES: | COc1ccc(CC[CH](OC(=O)[CH]2CCCCN2C(=O)[CH](C)c3sc(Cl)cc3)c4cccc(OCC(O)=O)c4)cc1OC | InChi: | InChI=1S/C32H36ClNO8S/c1-20(28-14-15-29(33)43-28)31(37)34-16-5-4-9-24(34)32(38)42-25(22-7-6-8-23(18-22)41-19-30(35)36)12-10-21-11-13-26(39-2)27(17-21)40-3/h6-8,11,13-15,17-18,20,24-25H,4-5,9-10,12,16,19H2,1-3H3,(H,35,36)/t20-,24+,25-/m1/s1 | Definition date: | 2023-02-01 | Last modified: | 2023-04-21 | Release date: | 2023-04-26 | Identifier: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)propanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid |
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![V6U V6U](https://data.pdbj.org/pdbjplus/data/cc/svg/V6U.svg) | V6U | Name: | methyl 2-[[3-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-1-methyl-pyrazol-4-yl]methyl]benzoate | Formula: | C17 H16 Cl N5 O2 | SMILES: | COC(=O)c1ccccc1Cc2cn(C)nc2c3cc(Cl)nc(N)n3 | InChi: | InChI=1S/C17H16ClN5O2/c1-23-9-11(7-10-5-3-4-6-12(10)16(24)25-2)15(22-23)13-8-14(18)21-17(19)20-13/h3-6,8-9H,7H2,1-2H3,(H2,19,20,21) | Definition date: | 2023-02-23 | Last modified: | 2023-04-21 | Release date: | 2023-04-26 | Identifier: | methyl 2-[[3-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-1-methyl-pyrazol-4-yl]methyl]benzoate |
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![YVU YVU](https://data.pdbj.org/pdbjplus/data/cc/svg/YVU.svg) | YVU | Name: | 5'-S-[2-(benzylcarbamamido)ethyl]-5'-thioadenosine | Formula: | C20 H25 N7 O4 S | SMILES: | Nc1ncnc2c1ncn2C1OC(CSCCNC(=O)NCc2ccccc2)C(O)C1O | InChi: | InChI=1S/C20H25N7O4S/c21-17-14-18(25-10-24-17)27(11-26-14)19-16(29)15(28)13(31-19)9-32-7-6-22-20(30)23-8-12-4-2-1-3-5-12/h1-5,10-11,13,15-16,19,28-29H,6-9H2,(H2,21,24,25)(H2,22,23,30)/t13-,15-,16-,19-/m1/s1 | Definition date: | 2023-02-24 | Last modified: | 2023-04-21 | Release date: | 2023-04-26 | Identifier: | 5'-S-[2-(benzylcarbamamido)ethyl]-5'-thioadenosine |
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![YW9 YW9](https://data.pdbj.org/pdbjplus/data/cc/svg/YW9.svg) | YW9 | Name: | 4-(3,5-dimethyl-1H-pyrazol-1-yl)aniline | Formula: | C11 H13 N3 | SMILES: | Nc1ccc(cc1)n1nc(C)cc1C | InChi: | InChI=1S/C11H13N3/c1-8-7-9(2)14(13-8)11-5-3-10(12)4-6-11/h3-7H,12H2,1-2H3 | Definition date: | 2023-02-28 | Last modified: | 2023-04-21 | Release date: | 2023-04-26 | Identifier: | 4-(3,5-dimethyl-1H-pyrazol-1-yl)aniline |
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![YXF YXF](https://data.pdbj.org/pdbjplus/data/cc/svg/YXF.svg) | YXF | Name: | 4-(3-ethyl-5-methyl-1H-pyrazol-1-yl)aniline | Formula: | C12 H15 N3 | SMILES: | Nc1ccc(cc1)n1nc(cc1C)CC | InChi: | InChI=1S/C12H15N3/c1-3-11-8-9(2)15(14-11)12-6-4-10(13)5-7-12/h4-8H,3,13H2,1-2H3 | Definition date: | 2023-03-03 | Last modified: | 2023-04-21 | Release date: | 2023-04-26 | Identifier: | 4-(3-ethyl-5-methyl-1H-pyrazol-1-yl)aniline |
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![YXN YXN](https://data.pdbj.org/pdbjplus/data/cc/svg/YXN.svg) | YXN | Name: | 4-(5-ethyl-3-methyl-1H-pyrazol-1-yl)aniline | Formula: | C12 H15 N3 | SMILES: | Nc1ccc(cc1)n1nc(C)cc1CC | InChi: | InChI=1S/C12H15N3/c1-3-11-8-9(2)14-15(11)12-6-4-10(13)5-7-12/h4-8H,3,13H2,1-2H3 | Definition date: | 2023-03-03 | Last modified: | 2023-04-21 | Release date: | 2023-04-26 | Identifier: | 4-(5-ethyl-3-methyl-1H-pyrazol-1-yl)aniline |
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![U1U U1U](https://data.pdbj.org/pdbjplus/data/cc/svg/U1U.svg) | U1U | Name: | ~{N}-(3-chloranyl-4-methoxy-phenyl)-7-(3,4-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine | Formula: | C21 H19 Cl N4 O | SMILES: | COc1ccc(Nc2ncnc3n(ccc23)c4ccc(C)c(C)c4)cc1Cl | InChi: | InChI=1S/C21H19ClN4O/c1-13-4-6-16(10-14(13)2)26-9-8-17-20(23-12-24-21(17)26)25-15-5-7-19(27-3)18(22)11-15/h4-12H,1-3H3,(H,23,24,25) | Definition date: | 2023-01-19 | Last modified: | 2023-04-21 | Release date: | 2023-04-26 | Identifier: | ~{N}-(3-chloranyl-4-methoxy-phenyl)-7-(3,4-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine |
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![VBB VBB](https://data.pdbj.org/pdbjplus/data/cc/svg/VBB.svg) | VBB | Name: | 2-(dimethylamino)ethyl 5-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-2-methyl-4-(phenylmethyl)pyrazole-3-carboxylate | Formula: | C20 H23 Cl N6 O2 | SMILES: | CN(C)CCOC(=O)c1n(C)nc(c1Cc2ccccc2)c3cc(Cl)nc(N)n3 | InChi: | InChI=1S/C20H23ClN6O2/c1-26(2)9-10-29-19(28)18-14(11-13-7-5-4-6-8-13)17(25-27(18)3)15-12-16(21)24-20(22)23-15/h4-8,12H,9-11H2,1-3H3,(H2,22,23,24) | Definition date: | 2023-03-01 | Last modified: | 2023-04-21 | Release date: | 2023-04-26 | Identifier: | 2-(dimethylamino)ethyl 5-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-2-methyl-4-(phenylmethyl)pyrazole-3-carboxylate |
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