![WPR WPR](https://data.pdbj.org/pdbjplus/data/cc/svg/WPR.svg) | WPR | Name: | 7-[5-[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]pyridin-3-yl]-1~{H}-imidazo[4,5-b]pyridine | Formula: | C20 H20 N6 | SMILES: | Cc1nn(CC2CC2)c(C)c1c3cncc(c3)c4ccnc5nc[nH]c45 | InChi: | InChI=1S/C20H20N6/c1-12-18(13(2)26(25-12)10-14-3-4-14)16-7-15(8-21-9-16)17-5-6-22-20-19(17)23-11-24-20/h5-9,11,14H,3-4,10H2,1-2H3,(H,22,23,24) | Definition date: | 2023-10-10 | Last modified: | 2023-12-29 | Release date: | 2024-01-03 | Identifier: | 7-[5-[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]pyridin-3-yl]-1~{H}-imidazo[4,5-b]pyridine |
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![U4I U4I](https://data.pdbj.org/pdbjplus/data/cc/svg/U4I.svg) | U4I | Name: | N-(3-acetamidophenyl)-N~2~-[3-(difluoromethyl)-5-methylbenzene-1-sulfonyl]-N~2~-methylglycinamide | Formula: | C19 H21 F2 N3 O4 S | SMILES: | O=S(=O)(N(C)CC(=O)Nc1cccc(NC(C)=O)c1)c1cc(C)cc(c1)C(F)F | InChi: | InChI=1S/C19H21F2N3O4S/c1-12-7-14(19(20)21)9-17(8-12)29(27,28)24(3)11-18(26)23-16-6-4-5-15(10-16)22-13(2)25/h4-10,19H,11H2,1-3H3,(H,22,25)(H,23,26) | Definition date: | 2023-08-30 | Last modified: | 2023-12-29 | Release date: | 2024-01-03 | Identifier: | N-(3-acetamidophenyl)-N~2~-[3-(difluoromethyl)-5-methylbenzene-1-sulfonyl]-N~2~-methylglycinamide |
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![W8I W8I](https://data.pdbj.org/pdbjplus/data/cc/svg/W8I.svg) | W8I | Name: | 1-{6-[(2,3-dichlorophenyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl}-4-methylpiperidin-4-amine | Formula: | C19 H19 Cl2 N5 S | SMILES: | Clc1cccc(Sc2ccc3nc(cnc3n2)N2CCC(C)(N)CC2)c1Cl | InChi: | InChI=1S/C19H19Cl2N5S/c1-19(22)7-9-26(10-8-19)15-11-23-18-13(24-15)5-6-16(25-18)27-14-4-2-3-12(20)17(14)21/h2-6,11H,7-10,22H2,1H3 | Definition date: | 2023-09-27 | Last modified: | 2023-12-29 | Release date: | 2024-01-03 | Identifier: | 1-{6-[(2,3-dichlorophenyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl}-4-methylpiperidin-4-amine |
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![Y75 Y75](https://data.pdbj.org/pdbjplus/data/cc/svg/Y75.svg) | Y75 | Name: | (7S,10S,13S,17P)-10-(4-aminobutyl)-7-(3-aminopropyl)-17-(6-aminopyridin-3-yl)-20-chloro-13-[(1H-indol-3-yl)methyl]-12-methyl-6,7,9,10,12,13,15,16-octahydropyrido[2,3-b][1,5,8,11,14]benzothiatetraazacycloheptadecine-8,11,14(5H)-trione | Formula: | C41 H49 Cl N10 O3 S | SMILES: | Nc1ccc(cn1)c1ccc(Cl)c2Sc3ncccc3CNC(CCCN)C(=O)NC(CCCCN)C(=O)N(C)C(Cc3c[NH]c4ccccc43)C(=O)NCc12 | InChi: | InChI=1S/C41H49ClN10O3S/c1-52-35(20-27-23-47-32-10-3-2-9-29(27)32)39(54)50-24-30-28(25-13-16-36(45)49-21-25)14-15-31(42)37(30)56-40-26(8-7-19-46-40)22-48-33(12-6-18-44)38(53)51-34(41(52)55)11-4-5-17-43/h2-3,7-10,13-16,19,21,23,33-35,47-48H,4-6,11-12,17-18,20,22,24,43-44H2,1H3,(H2,45,49)(H,50,54)(H,51,53)/t33-,34-,35-/m0/s1 | Definition date: | 2023-01-09 | Last modified: | 2023-12-29 | Release date: | 2024-01-03 | Identifier: | (7S,10S,13S,17P)-10-(4-aminobutyl)-7-(3-aminopropyl)-17-(6-aminopyridin-3-yl)-20-chloro-13-[(1H-indol-3-yl)methyl]-12-methyl-6,7,9,10,12,13,15,16-octahydropyrido[2,3-b][1,5,8,11,14]benzothiatetraazacycloheptadecine-8,11,14(5H)-trione |
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![WAB WAB](https://data.pdbj.org/pdbjplus/data/cc/svg/WAB.svg) | WAB | Name: | (3S,4S)-8-{6-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine | Formula: | C21 H24 Cl N7 O S | SMILES: | Nc1nccc(Sc2ccc3nc(cnc3n2)N2CCC3(CC2)COC(C)C3N)c1Cl | InChi: | InChI=1S/C21H24ClN7OS/c1-12-18(23)21(11-30-12)5-8-29(9-6-21)15-10-26-20-13(27-15)2-3-16(28-20)31-14-4-7-25-19(24)17(14)22/h2-4,7,10,12,18H,5-6,8-9,11,23H2,1H3,(H2,24,25)/t12-,18+/m0/s1 | Definition date: | 2023-09-28 | Last modified: | 2023-12-29 | Release date: | 2024-01-03 | Identifier: | (3S,4S)-8-{6-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine |
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![U7D U7D](https://data.pdbj.org/pdbjplus/data/cc/svg/U7D.svg) | U7D | Name: | 1-(4-methylpyridin-2-yl)-3-[3-(trifluoromethyl)phenyl]thiourea | Formula: | C14 H12 F3 N3 S | SMILES: | Cc1ccnc(NC(=S)Nc2cccc(c2)C(F)(F)F)c1 | InChi: | InChI=1S/C14H12F3N3S/c1-9-5-6-18-12(7-9)20-13(21)19-11-4-2-3-10(8-11)14(15,16)17/h2-8H,1H3,(H2,18,19,20,21) | Synonyms: | CHEMBL2134995 | Definition date: | 2023-09-07 | Last modified: | 2023-12-29 | Release date: | 2024-01-03 | Identifier: | 1-(4-methylpyridin-2-yl)-3-[3-(trifluoromethyl)phenyl]thiourea |
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![PQX PQX](https://data.pdbj.org/pdbjplus/data/cc/svg/PQX.svg) | PQX | Name: | 1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid | Formula: | C18 H21 N O2 | SMILES: | C[CH](N1CCC(CC1)C(O)=O)c2cccc3ccccc23 | InChi: | InChI=1S/C18H21NO2/c1-13(19-11-9-15(10-12-19)18(20)21)16-8-4-6-14-5-2-3-7-17(14)16/h2-8,13,15H,9-12H2,1H3,(H,20,21)/t13-/m1/s1 | Definition date: | 2023-03-07 | Last modified: | 2023-12-29 | Release date: | 2024-01-03 | Identifier: | 1-[(1~{R})-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid |
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![ZWS ZWS](https://data.pdbj.org/pdbjplus/data/cc/svg/ZWS.svg) | ZWS | Name: | [(5P)-5-{3-[(2R)-butan-2-yl]-7-[(2-methoxyethoxy)carbonyl]-2-oxo-5,6,7,8-tetrahydro-1,7-naphthyridin-1(2H)-yl}-2-oxopyridin-1(2H)-yl]acetic acid | Formula: | C23 H29 N3 O7 | SMILES: | O=C(O)CN1C=C(C=CC1=O)N1C(=O)C(=CC=2CCN(CC1=2)C(=O)OCCOC)C(C)CC | InChi: | InChI=1S/C23H29N3O7/c1-4-15(2)18-11-16-7-8-24(23(31)33-10-9-32-3)13-19(16)26(22(18)30)17-5-6-20(27)25(12-17)14-21(28)29/h5-6,11-12,15H,4,7-10,13-14H2,1-3H3,(H,28,29)/t15-/m1/s1 | Definition date: | 2023-04-13 | Last modified: | 2023-12-29 | Release date: | 2024-01-03 | Identifier: | [(5P)-5-{3-[(2R)-butan-2-yl]-7-[(2-methoxyethoxy)carbonyl]-2-oxo-5,6,7,8-tetrahydro-1,7-naphthyridin-1(2H)-yl}-2-oxopyridin-1(2H)-yl]acetic acid |
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![MG3 MG3](https://data.pdbj.org/pdbjplus/data/cc/svg/MG3.svg) | MG3 | Name: | (7S,10S,13S)-10-(4-aminobutyl)-7-(3-aminopropyl)-17,20-dichloro-13-[(1H-indol-3-yl)methyl]-12-methyl-6,7,9,10,12,13,15,16-octahydropyrido[2,3-b][1,5,8,11,14]benzothiatetraazacycloheptadecine-8,11,14(5H)-trione | Formula: | C36 H44 Cl2 N8 O3 S | SMILES: | Clc1ccc(Cl)c2CNC(=O)C(Cc3c[NH]c4ccccc43)N(C)C(=O)C(CCCCN)NC(=O)C(NCc3cccnc3Sc12)CCCN | InChi: | InChI=1S/C36H44Cl2N8O3S/c1-46-31(18-23-20-42-28-10-3-2-9-24(23)28)34(48)44-21-25-26(37)13-14-27(38)32(25)50-35-22(8-7-17-41-35)19-43-29(12-6-16-40)33(47)45-30(36(46)49)11-4-5-15-39/h2-3,7-10,13-14,17,20,29-31,42-43H,4-6,11-12,15-16,18-19,21,39-40H2,1H3,(H,44,48)(H,45,47)/t29-,30-,31-/m0/s1 | Definition date: | 2023-01-09 | Last modified: | 2023-12-29 | Release date: | 2024-01-03 | Identifier: | (7S,10S,13S)-10-(4-aminobutyl)-7-(3-aminopropyl)-17,20-dichloro-13-[(1H-indol-3-yl)methyl]-12-methyl-6,7,9,10,12,13,15,16-octahydropyrido[2,3-b][1,5,8,11,14]benzothiatetraazacycloheptadecine-8,11,14(5H)-trione |
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![7XZ 7XZ](https://data.pdbj.org/pdbjplus/data/cc/svg/7XZ.svg) | 7XZ | Name: | 2-[2-hydroxy-2-oxoethyl-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoyl]amino]ethanoic acid | Formula: | C18 H19 N O8 | SMILES: | COc1ccc2C(=C(CCC(=O)N(CC(O)=O)CC(O)=O)C(=O)Oc2c1)C | InChi: | InChI=1S/C18H19NO8/c1-10-12-4-3-11(26-2)7-14(12)27-18(25)13(10)5-6-15(20)19(8-16(21)22)9-17(23)24/h3-4,7H,5-6,8-9H2,1-2H3,(H,21,22)(H,23,24) | Synonyms: | ZINC2104681 | Definition date: | 2023-03-15 | Last modified: | 2023-12-29 | Release date: | 2024-01-03 | Identifier: | 2-[2-hydroxy-2-oxoethyl-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoyl]amino]ethanoic acid |
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![EKY EKY](https://data.pdbj.org/pdbjplus/data/cc/svg/EKY.svg) | EKY | Name: | 2-{4-[(2,5-difluorophenyl)methoxy]phenoxy}-5-ethoxyaniline | Formula: | C21 H19 F2 N O3 | SMILES: | Fc1cc(COc2ccc(cc2)Oc2ccc(cc2N)OCC)c(F)cc1 | InChi: | InChI=1S/C21H19F2NO3/c1-2-25-18-8-10-21(20(24)12-18)27-17-6-4-16(5-7-17)26-13-14-11-15(22)3-9-19(14)23/h3-12H,2,13,24H2,1H3 | Definition date: | 2023-04-26 | Last modified: | 2023-12-29 | Release date: | 2024-01-03 | Identifier: | 2-{4-[(2,5-difluorophenyl)methoxy]phenoxy}-5-ethoxyaniline |
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![FEI FEI](https://data.pdbj.org/pdbjplus/data/cc/svg/FEI.svg) | FEI | Name: | 2-[3-[5-[(E)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxidanylidene-3-(2-sulfoethylamino)propyl]-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoylamino]ethanesulfonic acid | Formula: | C37 H46 N6 O10 S2 | SMILES: | CC1=C(C=C)C(NC1=O)=Cc2[nH]c(Cc3[nH]c(C=C4NC(=O)C(=C4C)C=C)c(C)c3CCC(=O)NCC[S](O)(=O)=O)c(CCC(=O)NCC[S](O)(=O)=O)c2C | InChi: | InChI=1S/C37H46N6O10S2/c1-7-24-23(6)36(46)43-31(24)18-29-22(5)27(10-12-35(45)39-14-16-55(51,52)53)33(41-29)19-32-26(9-11-34(44)38-13-15-54(48,49)50)21(4)28(40-32)17-30-20(3)25(8-2)37(47)42-30/h7-8,17-18,40-41H,1-2,9-16,19H2,3-6H3,(H,38,44)(H,39,45)(H,42,47)(H,43,46)(H,48,49,50)(H,51,52,53)/b30-17+,31-18- | Synonyms: | bilirubin ditaurate | Definition date: | 2023-07-05 | Last modified: | 2023-12-29 | Release date: | 2024-01-03 | Identifier: | 2-[3-[5-[(~{E})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxidanylidene-3-(2-sulfoethylamino)propyl]-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoylamino]ethanesulfonic acid |
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![I7M I7M](https://data.pdbj.org/pdbjplus/data/cc/svg/I7M.svg) | I7M | Name: | 3-[(1~{S})-1-[6-methoxy-3-methyl-5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]oxy-2,3-dihydro-1~{H}-inden-4-yl]-2-methyl-~{N}-[5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]benzamide | Formula: | C41 H47 N7 O5 | SMILES: | COc1nc(O[CH]2CCc3c2cccc3c4cccc(C(=O)Nc5ccc(CNC[CH]6CCC(=O)N6)cn5)c4C)c(C)cc1CNC[CH]7CCC(=O)N7 | InChi: | InChI=1S/C41H47N7O5/c1-24-18-27(21-43-23-29-12-17-38(50)46-29)41(52-3)48-40(24)53-35-14-13-33-32(8-5-9-34(33)35)30-6-4-7-31(25(30)2)39(51)47-36-15-10-26(20-44-36)19-42-22-28-11-16-37(49)45-28/h4-10,15,18,20,28-29,35,42-43H,11-14,16-17,19,21-23H2,1-3H3,(H,45,49)(H,46,50)(H,44,47,51)/t28-,29-,35-/m0/s1 | Definition date: | 2023-07-27 | Last modified: | 2023-12-29 | Release date: | 2024-01-03 | Identifier: | 3-[(1~{S})-1-[6-methoxy-3-methyl-5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]oxy-2,3-dihydro-1~{H}-inden-4-yl]-2-methyl-~{N}-[5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]benzamide |
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![UCH UCH](https://data.pdbj.org/pdbjplus/data/cc/svg/UCH.svg) | UCH | Name: | 1-pyridin-4-ylpiperidine-4-carboxylic acid | Formula: | C11 H14 N2 O2 | SMILES: | OC(=O)C1CCN(CC1)c2ccncc2 | InChi: | InChI=1S/C11H14N2O2/c14-11(15)9-3-7-13(8-4-9)10-1-5-12-6-2-10/h1-2,5-6,9H,3-4,7-8H2,(H,14,15) | Definition date: | 2023-05-26 | Last modified: | 2023-12-22 | Release date: | 2023-12-27 | Identifier: | 1-pyridin-4-ylpiperidine-4-carboxylic acid |
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![X0F X0F](https://data.pdbj.org/pdbjplus/data/cc/svg/X0F.svg) | X0F | Name: | 2-oxo-2-hydroadenosine 5'-(tetrahydrogen triphosphate) | Formula: | C10 H16 N5 O14 P3 | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N)NC(=O)N=C32)C(O)C1O | InChi: | InChI=1S/C10H16N5O14P3/c11-7-4-8(14-10(18)13-7)15(2-12-4)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 | Definition date: | 2023-05-25 | Last modified: | 2023-12-22 | Release date: | 2023-12-27 | Identifier: | 2-oxo-2-hydroadenosine 5'-(tetrahydrogen triphosphate) |
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![VLK VLK](https://data.pdbj.org/pdbjplus/data/cc/svg/VLK.svg) | VLK | Name: | (2R)-2-[[methanoyl(oxidanyl)amino]methyl]-N-[(2S)-3-methyl-1-oxidanylidene-1-[2-(sulfanylmethyl)pyrrolidin-1-yl]butan-2-yl]heptanamide | Formula: | C19 H35 N3 O4 S | SMILES: | CCCCC[CH](CN(O)C=O)C(=O)N[CH](C(C)C)C(=O)N1CCCC1CS | InChi: | InChI=1S/C19H35N3O4S/c1-4-5-6-8-15(11-21(26)13-23)18(24)20-17(14(2)3)19(25)22-10-7-9-16(22)12-27/h13-17,26-27H,4-12H2,1-3H3,(H,20,24)/t15-,16?,17+/m1/s1 | Definition date: | 2023-03-15 | Last modified: | 2023-12-22 | Release date: | 2023-12-27 | Identifier: | (2~{R})-2-[[methanoyl(oxidanyl)amino]methyl]-~{N}-[(2~{S})-3-methyl-1-oxidanylidene-1-[2-(sulfanylmethyl)pyrrolidin-1-yl]butan-2-yl]heptanamide |
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![X0O X0O](https://data.pdbj.org/pdbjplus/data/cc/svg/X0O.svg) | X0O | Name: | [[(2~{R},3~{S},4~{R},5~{S})-5-(4-azanyl-1-methyl-2-oxidanylidene-pyrimidin-5-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | Formula: | C10 H18 N3 O14 P3 | SMILES: | CN1C=C([CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O)C(=NC1=O)N | InChi: | InChI=1S/C10H18N3O14P3/c1-13-2-4(9(11)12-10(13)16)8-7(15)6(14)5(25-8)3-24-29(20,21)27-30(22,23)26-28(17,18)19/h2,5-8,14-15H,3H2,1H3,(H,20,21)(H,22,23)(H2,11,12,16)(H2,17,18,19)/t5-,6-,7-,8+/m1/s1 | Definition date: | 2023-05-25 | Last modified: | 2023-12-22 | Release date: | 2023-12-27 | Identifier: | [[(2~{R},3~{S},4~{R},5~{S})-5-(4-azanyl-1-methyl-2-oxidanylidene-pyrimidin-5-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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![VMK VMK](https://data.pdbj.org/pdbjplus/data/cc/svg/VMK.svg) | VMK | Name: | 2-[4-(3-fluorophenyl)phenyl]ethanamine | Formula: | C14 H14 F N | SMILES: | NCCc1ccc(cc1)c2cccc(F)c2 | InChi: | InChI=1S/C14H14FN/c15-14-3-1-2-13(10-14)12-6-4-11(5-7-12)8-9-16/h1-7,10H,8-9,16H2 | Definition date: | 2023-09-14 | Last modified: | 2023-12-22 | Release date: | 2023-12-27 | Identifier: | 2-[4-(3-fluorophenyl)phenyl]ethanamine |
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![VMT VMT](https://data.pdbj.org/pdbjplus/data/cc/svg/VMT.svg) | VMT | Name: | 2-(4-bromophenyl)ethanamine | Formula: | C8 H10 Br N | SMILES: | NCCc1ccc(Br)cc1 | InChi: | InChI=1S/C8H10BrN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2 | Synonyms: | 4-Bromophenethylamine | Definition date: | 2023-09-14 | Last modified: | 2023-12-22 | Release date: | 2023-12-27 | Identifier: | 2-(4-bromophenyl)ethanamine |
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![SRC SRC](https://data.pdbj.org/pdbjplus/data/cc/svg/SRC.svg) | SRC | Name: | [[(2~{R},3~{S},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | Formula: | C11 H20 N5 O14 P3 | SMILES: | CN1CN([CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O)C3=C1C(=O)NC(=N3)N | InChi: | InChI=1S/C11H20N5O14P3/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h4,6-7,10,17-18H,2-3H2,1H3,(H,23,24)(H,25,26)(H2,20,21,22)(H3,12,13,14,19)/t4-,6-,7+,10-/m1/s1 | Definition date: | 2022-12-19 | Last modified: | 2023-12-22 | Release date: | 2023-12-27 | Identifier: | [[(2~{R},3~{S},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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![UF5 UF5](https://data.pdbj.org/pdbjplus/data/cc/svg/UF5.svg) | UF5 | Name: | 6-chloranyl-4-cyclopropyl-2,3-dihydrothieno[3,2-e][1,2,4]thiadiazine 1,1-dioxide | Formula: | C8 H9 Cl N2 O2 S2 | SMILES: | Clc1sc2c(c1)N(CN[S]2(=O)=O)C3CC3 | InChi: | InChI=1S/C8H9ClN2O2S2/c9-7-3-6-8(14-7)15(12,13)10-4-11(6)5-1-2-5/h3,5,10H,1-2,4H2 | Definition date: | 2023-09-05 | Last modified: | 2023-12-22 | Release date: | 2023-12-27 | Identifier: | 6-chloranyl-4-cyclopropyl-2,3-dihydrothieno[3,2-e][1,2,4]thiadiazine 1,1-dioxide |
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![VOT VOT](https://data.pdbj.org/pdbjplus/data/cc/svg/VOT.svg) | VOT | Name: | (2~{S},3~{R})-2-[2-[4-[2-(4-ethylphenyl)hydrazinyl]phenyl]ethanoylamino]-~{N}-[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]-3-oxidanyl-butanamide | Formula: | C31 H44 N6 O6 | SMILES: | CCc1ccc(NNc2ccc(CC(=O)N[CH]([CH](C)O)C(=O)N[CH]3C[CH](O)CCNC(=O)CC[CH](C)NC3=O)cc2)cc1 | InChi: | InChI=1S/C31H44N6O6/c1-4-21-6-10-23(11-7-21)36-37-24-12-8-22(9-13-24)17-28(41)35-29(20(3)38)31(43)34-26-18-25(39)15-16-32-27(40)14-5-19(2)33-30(26)42/h6-13,19-20,25-26,29,36-39H,4-5,14-18H2,1-3H3,(H,32,40)(H,33,42)(H,34,43)(H,35,41)/t19-,20+,25-,26-,29-/m0/s1 | Definition date: | 2023-03-22 | Last modified: | 2023-12-22 | Release date: | 2023-12-27 | Identifier: | (2~{S},3~{R})-2-[2-[4-[2-(4-ethylphenyl)hydrazinyl]phenyl]ethanoylamino]-~{N}-[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]-3-oxidanyl-butanamide |
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![VOX VOX](https://data.pdbj.org/pdbjplus/data/cc/svg/VOX.svg) | VOX | Name: | ~{N}-[(2~{S},3~{R})-1-[[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-7-[4-[2-(4-methylphenyl)hydrazinyl]phenyl]heptanamide | Formula: | C35 H52 N6 O6 | SMILES: | C[CH](O)[CH](NC(=O)CCCCCCc1ccc(NNc2ccc(C)cc2)cc1)C(=O)N[CH]3C[CH](O)CCNC(=O)CC[CH](C)NC3=O | InChi: | InChI=1S/C35H52N6O6/c1-23-10-15-27(16-11-23)40-41-28-17-13-26(14-18-28)8-6-4-5-7-9-32(45)39-33(25(3)42)35(47)38-30-22-29(43)20-21-36-31(44)19-12-24(2)37-34(30)46/h10-11,13-18,24-25,29-30,33,40-43H,4-9,12,19-22H2,1-3H3,(H,36,44)(H,37,46)(H,38,47)(H,39,45)/t24-,25+,29-,30-,33-/m0/s1 | Definition date: | 2023-03-22 | Last modified: | 2023-12-22 | Release date: | 2023-12-27 | Identifier: | ~{N}-[(2~{S},3~{R})-1-[[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-7-[4-[2-(4-methylphenyl)hydrazinyl]phenyl]heptanamide |
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![V9U V9U](https://data.pdbj.org/pdbjplus/data/cc/svg/V9U.svg) | V9U | Name: | 3-azanyl-6-chloranyl-isoindol-1-one | Formula: | C8 H5 Cl N2 O | SMILES: | NC1=NC(=O)c2cc(Cl)ccc12 | InChi: | InChI=1S/C8H5ClN2O/c9-4-1-2-5-6(3-4)8(12)11-7(5)10/h1-3H,(H2,10,11,12) | Definition date: | 2023-09-11 | Last modified: | 2023-12-22 | Release date: | 2023-12-27 | Identifier: | 3-azanyl-6-chloranyl-isoindol-1-one |
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![K8C K8C](https://data.pdbj.org/pdbjplus/data/cc/svg/K8C.svg) | K8C | Name: | 2-methylsulfanylpyrimidine-4-carbaldehyde | Formula: | C6 H6 N2 O S | SMILES: | CSc1nccc(C=O)n1 | InChi: | InChI=1S/C6H6N2OS/c1-10-6-7-3-2-5(4-9)8-6/h2-4H,1H3 | Definition date: | 2022-09-12 | Last modified: | 2023-12-22 | Release date: | 2023-12-27 | Identifier: | 2-methylsulfanylpyrimidine-4-carbaldehyde |
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