![K8L K8L](https://data.pdbj.org/pdbjplus/data/cc/svg/K8L.svg) | K8L | Name: | N-[(1,3-thiazol-5-yl)methyl]acetamide | Formula: | C6 H8 N2 O S | SMILES: | O=C(C)NCc1cncs1 | InChi: | InChI=1S/C6H8N2OS/c1-5(9)8-3-6-2-7-4-10-6/h2,4H,3H2,1H3,(H,8,9) | Definition date: | 2023-08-10 | Last modified: | 2024-08-30 | Release date: | 2024-09-04 | Identifier: | N-[(1,3-thiazol-5-yl)methyl]acetamide |
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![K96 K96](https://data.pdbj.org/pdbjplus/data/cc/svg/K96.svg) | K96 | Name: | N-{[(2R)-oxolan-2-yl]methyl}morpholine-4-carboxamide | Formula: | C10 H18 N2 O3 | SMILES: | O=C(NCC1CCCO1)N1CCOCC1 | InChi: | InChI=1S/C10H18N2O3/c13-10(12-3-6-14-7-4-12)11-8-9-2-1-5-15-9/h9H,1-8H2,(H,11,13) | Definition date: | 2023-08-10 | Last modified: | 2024-08-30 | Release date: | 2024-09-04 | Identifier: | N-{[(2R)-oxolan-2-yl]methyl}morpholine-4-carboxamide |
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![K9N K9N](https://data.pdbj.org/pdbjplus/data/cc/svg/K9N.svg) | K9N | Name: | N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutanecarboxamide | Formula: | C10 H14 N2 O S | SMILES: | O=C(NCc1nc(C)cs1)C1CCC1 | InChi: | InChI=1S/C10H14N2OS/c1-7-6-14-9(12-7)5-11-10(13)8-3-2-4-8/h6,8H,2-5H2,1H3,(H,11,13) | Definition date: | 2023-08-10 | Last modified: | 2024-08-30 | Release date: | 2024-09-04 | Identifier: | N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutanecarboxamide |
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![KA3 KA3](https://data.pdbj.org/pdbjplus/data/cc/svg/KA3.svg) | KA3 | Name: | N-(cyclopropylmethyl)-4-methoxypiperidine-1-carboxamide | Formula: | C11 H20 N2 O2 | SMILES: | O=C(NCC1CC1)N1CCC(OC)CC1 | InChi: | InChI=1S/C11H20N2O2/c1-15-10-4-6-13(7-5-10)11(14)12-8-9-2-3-9/h9-10H,2-8H2,1H3,(H,12,14) | Definition date: | 2023-08-10 | Last modified: | 2024-08-30 | Release date: | 2024-09-04 | Identifier: | N-(cyclopropylmethyl)-4-methoxypiperidine-1-carboxamide |
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![9I3 9I3](https://data.pdbj.org/pdbjplus/data/cc/svg/9I3.svg) | 9I3 | Name: | 3-[(3-chlorophenyl)methyl]-6-[(4-chlorophenyl)methyl]-2,4-dihydro-1H-pyrido[2,3-c][2,7]naphthyridin-5-one | Formula: | C25 H21 Cl2 N3 O | SMILES: | Clc1ccc(CN2C(=O)C3=C(CCN(Cc4cccc(Cl)c4)C3)c5cccnc25)cc1 | InChi: | InChI=1S/C25H21Cl2N3O/c26-19-8-6-17(7-9-19)15-30-24-22(5-2-11-28-24)21-10-12-29(16-23(21)25(30)31)14-18-3-1-4-20(27)13-18/h1-9,11,13H,10,12,14-16H2 | Definition date: | 2022-01-15 | Last modified: | 2024-08-30 | Release date: | 2024-09-04 | Identifier: | 3-[(3-chlorophenyl)methyl]-6-[(4-chlorophenyl)methyl]-2,4-dihydro-1~{H}-pyrido[2,3-c][2,7]naphthyridin-5-one |
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![KB3 KB3](https://data.pdbj.org/pdbjplus/data/cc/svg/KB3.svg) | KB3 | Name: | (5M)-5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine | Formula: | C9 H9 N3 O2 | SMILES: | Nc1nnc(o1)c1ccccc1OC | InChi: | InChI=1S/C9H9N3O2/c1-13-7-5-3-2-4-6(7)8-11-12-9(10)14-8/h2-5H,1H3,(H2,10,12) | Definition date: | 2023-08-10 | Last modified: | 2024-08-30 | Release date: | 2024-09-04 | Identifier: | (5M)-5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine |
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![A7F A7F](https://data.pdbj.org/pdbjplus/data/cc/svg/A7F.svg) | A7F | Name: | Arcyriaflavin A | Formula: | C20 H11 N3 O2 | SMILES: | O=C1NC(=O)c2c3c4ccccc4[NH]c3c3[NH]c4ccccc4c3c21 | InChi: | InChI=1S/C20H11N3O2/c24-19-15-13-9-5-1-3-7-11(9)21-17(13)18-14(16(15)20(25)23-19)10-6-2-4-8-12(10)22-18/h1-8,21-22H,(H,23,24,25) | Synonyms: | 12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione | Definition date: | 2023-09-08 | Last modified: | 2024-08-30 | Release date: | 2024-09-04 | Identifier: | 12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione |
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![B5I B5I](https://data.pdbj.org/pdbjplus/data/cc/svg/B5I.svg) | B5I | Name: | 2-propyl-L-norvaline | Formula: | C8 H17 N O2 | SMILES: | CCCC(N)(CCC)C(=O)O | InChi: | InChI=1S/C8H17NO2/c1-3-5-8(9,6-4-2)7(10)11/h3-6,9H2,1-2H3,(H,10,11) | Definition date: | 2022-09-21 | Last modified: | 2024-08-30 | Release date: | 2024-09-04 | Identifier: | 2-propyl-L-norvaline |
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![6I6 6I6](https://data.pdbj.org/pdbjplus/data/cc/svg/6I6.svg) | 6I6 | Name: | aficamten | Formula: | C18 H19 N5 O2 | SMILES: | CCc1onc(n1)c2ccc3[CH](CCc3c2)NC(=O)c4cnn(C)c4 | InChi: | InChI=1S/C18H19N5O2/c1-3-16-21-17(22-25-16)12-4-6-14-11(8-12)5-7-15(14)20-18(24)13-9-19-23(2)10-13/h4,6,8-10,15H,3,5,7H2,1-2H3,(H,20,24)/t15-/m1/s1 | Synonyms: | ~{N}-[(1~{R})-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1~{H}-inden-1-yl]-1-methyl-pyrazole-4-carboxamide | Definition date: | 2021-07-27 | Last modified: | 2024-08-30 | Release date: | 2024-09-04 | Identifier: | ~{N}-[(1~{R})-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1~{H}-inden-1-yl]-1-methyl-pyrazole-4-carboxamide |
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![R89 R89](https://data.pdbj.org/pdbjplus/data/cc/svg/R89.svg) | R89 | Name: | 11-[(3-chlorophenyl)methyl]-7-[[4-(trifluoromethyl)phenyl]methyl]-2,5,7,11-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5-trien-8-one | Formula: | C24 H20 Cl F3 N4 O | SMILES: | FC(F)(F)c1ccc(CN2C(=O)C3=C(CCN(Cc4cccc(Cl)c4)C3)n5ccnc25)cc1 | InChi: | InChI=1S/C24H20ClF3N4O/c25-19-3-1-2-17(12-19)13-30-10-8-21-20(15-30)22(33)32(23-29-9-11-31(21)23)14-16-4-6-18(7-5-16)24(26,27)28/h1-7,9,11-12H,8,10,13-15H2 | Definition date: | 2023-09-05 | Last modified: | 2024-08-30 | Release date: | 2024-09-04 | Identifier: | 11-[(3-chlorophenyl)methyl]-7-[[4-(trifluoromethyl)phenyl]methyl]-2,5,7,11-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5-trien-8-one |
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![DVY DVY](https://data.pdbj.org/pdbjplus/data/cc/svg/DVY.svg) | DVY | Name: | 4-(4-{[5-amino-3-(4-sulfamoylanilino)-1H-1,2,4-triazole-1-carbonyl]amino}phenyl)pyridine-2-carboxylic acid | Formula: | C21 H18 N8 O5 S | SMILES: | O=C(Nc1ccc(cc1)c1ccnc(c1)C(=O)O)n1nc(Nc2ccc(cc2)S(N)(=O)=O)nc1N | InChi: | InChI=1S/C21H18N8O5S/c22-19-27-20(25-14-5-7-16(8-6-14)35(23,33)34)28-29(19)21(32)26-15-3-1-12(2-4-15)13-9-10-24-17(11-13)18(30)31/h1-11H,(H,26,32)(H,30,31)(H2,23,33,34)(H3,22,25,27,28) | Definition date: | 2021-11-30 | Last modified: | 2024-08-30 | Release date: | 2024-09-04 | Identifier: | 4-(4-{[5-amino-3-(4-sulfamoylanilino)-1H-1,2,4-triazole-1-carbonyl]amino}phenyl)pyridine-2-carboxylic acid |
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![H9X H9X](https://data.pdbj.org/pdbjplus/data/cc/svg/H9X.svg) | H9X | Name: | 5-bromanyl-N2-[(4-bromophenyl)-bis(oxidanyl)-$l^4-sulfanyl]-N1,N1,N3,N3-tetrakis(oxidanyl)benzene-1,2,3-triamine | Formula: | C12 H13 Br2 N3 O6 S | SMILES: | ON(O)c1cc(Br)cc(N(O)O)c1N[S](O)(O)c2ccc(Br)cc2 | InChi: | InChI=1S/C12H13Br2N3O6S/c13-7-1-3-9(4-2-7)24(22,23)15-12-10(16(18)19)5-8(14)6-11(12)17(20)21/h1-6,15,18-23H | Definition date: | 2020-12-11 | Last modified: | 2024-08-30 | Release date: | 2024-09-04 | Identifier: | 5-bromanyl-~{N}2-[(4-bromophenyl)-bis(oxidanyl)-$l^{4}-sulfanyl]-~{N}1,~{N}1,~{N}3,~{N}3-tetrakis(oxidanyl)benzene-1,2,3-triamine |
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![A1AIS A1AIS](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AIS.svg) | A1AIS | Name: | (2R)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dihexadecanoate | Formula: | C41 H79 O13 P | SMILES: | OP(=O)(OC1C(O)C(O)C(O)C(O)C1O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC | InChi: | InChI=1S/C41H79O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)51-31-33(32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48)53-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36-41,44-48H,3-32H2,1-2H3,(H,49,50)/t33-,36-,37-,38-,39+,40-,41-/m1/s1 | Definition date: | 2024-03-22 | Last modified: | 2024-08-30 | Release date: | 2024-09-04 | Identifier: | (2R)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dihexadecanoate |
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![A1AWU A1AWU](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AWU.svg) | A1AWU | Name: | [(2~{R},3~{R},4~{R},5~{S})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl [(2~{R},3~{R},4~{S},5~{R})-2-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate | Formula: | C20 H25 N10 O11 P | SMILES: | NC1=Nc2c(ncn2C2OC(CO)C(O)C2OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(=O)N1 | InChi: | InChI=1S/C20H25N10O11P/c21-14-8-15(24-3-23-14)29(4-25-8)18-12(34)10(32)7(40-18)2-38-42(36,37)41-13-11(33)6(1-31)39-19(13)30-5-26-9-16(30)27-20(22)28-17(9)35/h3-7,10-13,18-19,31-34H,1-2H2,(H,36,37)(H2,21,23,24)(H3,22,27,28,35) | Definition date: | 2024-07-08 | Last modified: | 2024-08-30 | Release date: | 2024-09-04 | Identifier: | (2S,3R,4R,5S)-2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl [(2R,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen (S)-phosphate (non-preferred name) |
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![A1AZR A1AZR](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AZR.svg) | A1AZR | Name: | 2-(4-butylbenzene-1-sulfonamido)-5-(4-{3-carboxy-4-[4-(2-methoxyethyl)benzene-1-sulfonamido]anilino}-4-oxobutanamido)benzoic acid | Formula: | C37 H40 N4 O11 S2 | SMILES: | O=S(=O)(Nc1ccc(NC(=O)CCC(=O)Nc2cc(C(=O)O)c(NS(=O)(=O)c3ccc(CCCC)cc3)cc2)cc1C(=O)O)c1ccc(CCOC)cc1 | InChi: | InChI=1S/C37H40N4O11S2/c1-3-4-5-24-6-12-28(13-7-24)53(48,49)40-32-16-10-26(22-30(32)36(44)45)38-34(42)18-19-35(43)39-27-11-17-33(31(23-27)37(46)47)41-54(50,51)29-14-8-25(9-15-29)20-21-52-2/h6-17,22-23,40-41H,3-5,18-21H2,1-2H3,(H,38,42)(H,39,43)(H,44,45)(H,46,47) | Definition date: | 2024-07-24 | Last modified: | 2024-08-30 | Release date: | 2024-09-04 | Identifier: | 2-(4-butylbenzene-1-sulfonamido)-5-(4-{3-carboxy-4-[4-(2-methoxyethyl)benzene-1-sulfonamido]anilino}-4-oxobutanamido)benzoic acid |
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![A1AZS A1AZS](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AZS.svg) | A1AZS | Name: | 3,3'-[(1,4-dioxobutane-1,4-diyl)bis(azanediyl)]bis[(4-butylbenzene-1-sulfonamido)benzoic acid] | Formula: | C38 H42 N4 O10 S2 | SMILES: | O=S(=O)(Nc1ccc(NC(=O)CCC(=O)Nc2cc(C(=O)O)c(NS(=O)(=O)c3ccc(CCCC)cc3)cc2)cc1C(=O)O)c1ccc(CCCC)cc1 | InChi: | InChI=1S/C38H42N4O10S2/c1-3-5-7-25-9-15-29(16-10-25)53(49,50)41-33-19-13-27(23-31(33)37(45)46)39-35(43)21-22-36(44)40-28-14-20-34(32(24-28)38(47)48)42-54(51,52)30-17-11-26(12-18-30)8-6-4-2/h9-20,23-24,41-42H,3-8,21-22H2,1-2H3,(H,39,43)(H,40,44)(H,45,46)(H,47,48) | Definition date: | 2024-07-24 | Last modified: | 2024-08-30 | Release date: | 2024-09-04 | Identifier: | 3,3'-[(1,4-dioxobutane-1,4-diyl)bis(azanediyl)]bis[(4-butylbenzene-1-sulfonamido)benzoic acid] |
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![A1A23 A1A23](https://data.pdbj.org/pdbjplus/data/cc/svg/A1A23.svg) | A1A23 | Name: | 2-{[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]sulfanyl}pyridine-3-carboxylic acid | Formula: | C15 H14 N4 O2 S2 | SMILES: | O=C(O)c1cccnc1SCc1nc(N)c2c(n1)sc(C)c2C | InChi: | InChI=1S/C15H14N4O2S2/c1-7-8(2)23-14-11(7)12(16)18-10(19-14)6-22-13-9(15(20)21)4-3-5-17-13/h3-5H,6H2,1-2H3,(H,20,21)(H2,16,18,19) | Definition date: | 2024-08-22 | Last modified: | 2024-08-30 | Release date: | 2024-09-04 | Identifier: | 2-{[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]sulfanyl}pyridine-3-carboxylic acid |
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![A1ADE A1ADE](https://data.pdbj.org/pdbjplus/data/cc/svg/A1ADE.svg) | A1ADE | Name: | methyl 2-chloro-5-(methyl{(8R)-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl}amino)benzoate | Formula: | C25 H21 Cl N4 O4 | SMILES: | O=C(OC)c1cc(ccc1Cl)N(C)C(=O)c1ccn2ncc(c2c1)c1ccc(cc1)C(=O)NC | InChi: | InChI=1S/C25H21ClN4O4/c1-27-23(31)16-6-4-15(5-7-16)20-14-28-30-11-10-17(12-22(20)30)24(32)29(2)18-8-9-21(26)19(13-18)25(33)34-3/h4-14H,1-3H3,(H,27,31) | Definition date: | 2024-01-20 | Last modified: | 2024-08-30 | Release date: | 2024-09-04 | Identifier: | methyl 2-chloro-5-(methyl{(8R)-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl}amino)benzoate |
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![A1IB8 A1IB8](https://data.pdbj.org/pdbjplus/data/cc/svg/A1IB8.svg) | A1IB8 | Name: | 6-(4-cyclopropyl-6-methoxy-pyrimidin-5-yl)-1-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine | Formula: | C27 H25 F3 N8 O | SMILES: | COc1ncnc(C2CC2)c1c3ncc4cnn(Cc5ccc(cc5)c6nc(cn6C(C)C)C(F)(F)F)c4n3 | InChi: | InChI=1S/C27H25F3N8O/c1-15(2)37-13-20(27(28,29)30)35-24(37)18-6-4-16(5-7-18)12-38-25-19(11-34-38)10-31-23(36-25)21-22(17-8-9-17)32-14-33-26(21)39-3/h4-7,10-11,13-15,17H,8-9,12H2,1-3H3 | Definition date: | 2024-05-20 | Last modified: | 2024-08-30 | Release date: | 2024-09-04 | Identifier: | 6-(4-cyclopropyl-6-methoxy-pyrimidin-5-yl)-1-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine |
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![A1ICK A1ICK](https://data.pdbj.org/pdbjplus/data/cc/svg/A1ICK.svg) | A1ICK | Name: | (2~{S})-3-[3-[[4-[bis(fluoranyl)methyl]-3-cyano-6-[(3~{S})-3-(dimethylamino)pyrrolidin-1-yl]pyridin-2-yl]amino]-4-methylsulfanyl-phenyl]-2-methyl-propanoic acid | Formula: | C24 H29 F2 N5 O2 S | SMILES: | CSc1ccc(C[CH](C)C(O)=O)cc1Nc2nc(cc(C(F)F)c2C#N)N3CC[CH](C3)N(C)C | InChi: | InChI=1S/C24H29F2N5O2S/c1-14(24(32)33)9-15-5-6-20(34-4)19(10-15)28-23-18(12-27)17(22(25)26)11-21(29-23)31-8-7-16(13-31)30(2)3/h5-6,10-11,14,16,22H,7-9,13H2,1-4H3,(H,28,29)(H,32,33)/t14-,16-/m0/s1 | Definition date: | 2024-06-03 | Last modified: | 2024-08-30 | Release date: | 2024-09-04 | Identifier: | (2~{S})-3-[3-[[4-[bis(fluoranyl)methyl]-3-cyano-6-[(3~{S})-3-(dimethylamino)pyrrolidin-1-yl]pyridin-2-yl]amino]-4-methylsulfanyl-phenyl]-2-methyl-propanoic acid |
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![A1IMW A1IMW](https://data.pdbj.org/pdbjplus/data/cc/svg/A1IMW.svg) | A1IMW | Name: | 2-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]ethylcarbamic acid | Formula: | C9 H20 N2 O5 | SMILES: | NCCOCCOCCOCCNC(O)=O | InChi: | InChI=1S/C9H20N2O5/c10-1-3-14-5-7-16-8-6-15-4-2-11-9(12)13/h11H,1-8,10H2,(H,12,13) | Definition date: | 2024-08-28 | Last modified: | 2024-08-30 | Release date: | 2024-09-04 | Identifier: | 2-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]ethylcarbamic acid |
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![A1IMX A1IMX](https://data.pdbj.org/pdbjplus/data/cc/svg/A1IMX.svg) | A1IMX | Name: | 4-[2-[1-[3-[3-(aminomethyl)phenoxy]propyl]-1,2,3-triazol-4-yl]ethoxy]-8-azanyl-quinoline-2-carboxylic acid | Formula: | C24 H26 N6 O4 | SMILES: | NCc1cccc(OCCCn2cc(CCOc3cc(nc4c(N)cccc34)C(O)=O)nn2)c1 | InChi: | InChI=1S/C24H26N6O4/c25-14-16-4-1-5-18(12-16)33-10-3-9-30-15-17(28-29-30)8-11-34-22-13-21(24(31)32)27-23-19(22)6-2-7-20(23)26/h1-2,4-7,12-13,15H,3,8-11,14,25-26H2,(H,31,32) | Definition date: | 2024-08-28 | Last modified: | 2024-08-30 | Release date: | 2024-09-04 | Identifier: | 4-[2-[1-[3-[3-(aminomethyl)phenoxy]propyl]-1,2,3-triazol-4-yl]ethoxy]-8-azanyl-quinoline-2-carboxylic acid |
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![A1L2M A1L2M](https://data.pdbj.org/pdbjplus/data/cc/svg/A1L2M.svg) | A1L2M | Name: | 4-[2-cyclopropyl-7-[[(1~{R})-1-naphthalen-2-ylethyl]amino]-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxamide | Formula: | C25 H28 N8 O | SMILES: | C[CH](Nc1cc(nc2nc(nn12)C3CC3)N4CCN(CC4)C(N)=O)c5ccc6ccccc6c5 | InChi: | InChI=1S/C25H28N8O/c1-16(19-9-6-17-4-2-3-5-20(17)14-19)27-22-15-21(31-10-12-32(13-11-31)24(26)34)28-25-29-23(18-7-8-18)30-33(22)25/h2-6,9,14-16,18,27H,7-8,10-13H2,1H3,(H2,26,34)/t16-/m1/s1 | Definition date: | 2024-06-27 | Last modified: | 2024-08-30 | Release date: | 2024-09-04 | Identifier: | 4-[2-cyclopropyl-7-[[(1~{R})-1-naphthalen-2-ylethyl]amino]-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxamide |
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![A1LYZ A1LYZ](https://data.pdbj.org/pdbjplus/data/cc/svg/A1LYZ.svg) | A1LYZ | Name: | (4-methoxyphenyl)methyl ~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate | Formula: | C22 H31 N3 O6 | SMILES: | COc1ccc(COC(=O)N[CH](CC(C)C)C(=O)N[CH](C[CH]2CCNC2=O)C=O)cc1 | InChi: | InChI=1S/C22H31N3O6/c1-14(2)10-19(21(28)24-17(12-26)11-16-8-9-23-20(16)27)25-22(29)31-13-15-4-6-18(30-3)7-5-15/h4-7,12,14,16-17,19H,8-11,13H2,1-3H3,(H,23,27)(H,24,28)(H,25,29)/t16-,17-,19-/m0/s1 | Definition date: | 2024-03-11 | Last modified: | 2024-08-30 | Release date: | 2024-09-04 | Identifier: | (4-methoxyphenyl)methyl ~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate |
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![7I7 7I7](https://data.pdbj.org/pdbjplus/data/cc/svg/7I7.svg) | 7I7 | Name: | N-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethyl]-3-sulfanyl-propanamide | Formula: | C12 H24 N2 O5 S | SMILES: | SCCC(=O)NCCOCCOCCOCCNC=O | InChi: | InChI=1S/C12H24N2O5S/c15-11-13-2-4-17-6-8-19-9-7-18-5-3-14-12(16)1-10-20/h11,20H,1-10H2,(H,13,15)(H,14,16) | Definition date: | 2021-08-05 | Last modified: | 2024-08-29 | Release date: | 2022-07-13 | Identifier: | ~{N}-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethyl]-3-sulfanyl-propanamide |
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