![UCS UCS](https://data.pdbj.org/pdbjplus/data/cc/svg/UCS.svg) | UCS | 表記: | N~2~-[(benzyloxy)carbonyl]-N-[(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-(trimethyl-lambda~4~-sulfanyl)propan-2-yl]-L-leucinamide | 組成式: | C22 H33 N3 O7 S | SMILES: | c1ccccc1COC(NC(C(=O)NC(C(O)S(=O)(O)=C)CC2CCNC2=O)CC(C)C)=O | InChi: | InChI=1S/C22H33N3O7S/c1-14(2)11-17(25-22(29)32-13-15-7-5-4-6-8-15)20(27)24-18(21(28)33(3,30)31)12-16-9-10-23-19(16)26/h4-8,14,16-18,21,28H,3,9-13H2,1-2H3,(H,23,26)(H,24,27)(H,25,29)(H,30,31)/t16-,17-,18-,21+/m0/s1 | 定義日: | 2020-05-07 | 最終更新日: | 2020-11-17 | 公開日: | 2020-05-20 | 識別子(ID): | N~2~-[(benzyloxy)carbonyl]-N-{(1R,2S)-1-hydroxy-1-[hydroxy(methylidene)oxo-lambda~6~-sulfanyl]-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide |
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![QMA QMA](https://data.pdbj.org/pdbjplus/data/cc/svg/QMA.svg) | QMA | 表記: | 2-hydroxy-6-methoxynaphthalene-1-carbaldehyde | 組成式: | C12 H10 O3 | SMILES: | c1cc(O)c(C=O)c2ccc(cc12)OC | InChi: | InChI=1S/C12H10O3/c1-15-9-3-4-10-8(6-9)2-5-12(14)11(10)7-13/h2-7,14H,1H3 | 定義日: | 2019-11-19 | 最終更新日: | 2020-11-13 | 公開日: | 2020-11-18 | 識別子(ID): | 2-hydroxy-6-methoxynaphthalene-1-carbaldehyde |
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![NQ8 NQ8](https://data.pdbj.org/pdbjplus/data/cc/svg/NQ8.svg) | NQ8 | 表記: | (5~{S},8~{S},9~{S},10~{S},13~{S},14~{S})-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one | 組成式: | C19 H30 O | SMILES: | C[C]12CCC[CH]1[CH]3CC[CH]4CC(=O)CC[C]4(C)[CH]3CC2 | InChi: | InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13,15-17H,3-12H2,1-2H3/t13-,15-,16-,17-,18-,19-/m0/s1 | 定義日: | 2019-12-11 | 最終更新日: | 2020-11-13 | 公開日: | 2020-11-18 | 識別子(ID): | (5~{S},8~{S},9~{S},10~{S},13~{S},14~{S})-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one |
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![TIU TIU](https://data.pdbj.org/pdbjplus/data/cc/svg/TIU.svg) | TIU | 表記: | tricarbonodiimidic diamide | 組成式: | C3 H6 N4 O3 | SMILES: | NC(NC(=O)NC(N)=O)=O | InChi: | InChI=1S/C3H6N4O3/c4-1(8)6-3(10)7-2(5)9/h(H6,4,5,6,7,8,9,10) | 定義日: | 2020-06-24 | 最終更新日: | 2020-11-13 | 公開日: | 2020-11-18 | 識別子(ID): | tricarbonodiimidic diamide |
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![V6G V6G](https://data.pdbj.org/pdbjplus/data/cc/svg/V6G.svg) | V6G | 表記: | 3-[(1S,2S)-1-(5-[(4S)-2,2-dimethyloxan-4-yl]-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl)-2-methylcyclopropyl]-1,2,4-oxadiazol-5(4H)-one | 組成式: | C48 H48 F2 N10 O5 | SMILES: | c23cc(C1CCOC(C)(C)C1)ccc2n(c(c3)C(N9CCc8c(c(N4C(N(C=C4)c5c(c6c(cc5)n(C)nc6)F)=O)n(c7cc(C)c(c(c7)C)F)n8)C9C)=O)C%11(C=%10NC(=O)ON=%10)CC%11C | InChi: | InChI=1S/C48H48F2N10O5/c1-25-18-32(19-26(2)40(25)49)60-42(58-16-15-57(46(58)63)37-11-10-36-33(41(37)50)24-51-55(36)7)39-28(4)56(14-12-34(39)53-60)43(61)38-21-31-20-29(30-13-17-64-47(5,6)23-30)8-9-35(31)59(38)48(22-27(48)3)44-52-45(62)65-54-44/h8-11,15-16,18-21,24,27-28,30H,12-14,17,22-23H2,1-7H3,(H,52,54,62)/t27-,28-,30-,48-/m0/s1 | 定義日: | 2020-07-08 | 最終更新日: | 2020-11-13 | 公開日: | 2020-11-18 | 識別子(ID): | 3-[(1S,2S)-1-(5-[(4S)-2,2-dimethyloxan-4-yl]-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl)-2-methylcyclopropyl]-1,2,4-oxadiazol-5(4H)-one |
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![TKY TKY](https://data.pdbj.org/pdbjplus/data/cc/svg/TKY.svg) | TKY | 表記: | 14-{[(3S)-2-(N-methyl-L-alanyl-3-methyl-L-valyl)-3-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-3,6,9,12-tetraoxatetradecan-1-yl (3R)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazol-1-yl}piperidine-1-carboxylate | 組成式: | C62 H79 F2 N9 O12 | SMILES: | C(OCCOCCOCCOCCOCCOc4cc1c(CC(N(C(=O)C(NC(C(C)NC)=O)C(C)(C)C)C1)C(=O)NC3c2c(cccc2)CCC3)cc4)(N8CCCC(n7c(c(C(N)=O)c(c6ccc(Oc5ccc(F)cc5F)cc6)n7)N)C8)=O | InChi: | InChI=1S/C62H79F2N9O12/c1-39(67-5)58(75)69-55(62(2,3)4)60(77)72-37-43-34-47(21-17-42(43)35-51(72)59(76)68-50-14-8-11-40-10-6-7-13-48(40)50)83-32-30-81-28-26-79-24-25-80-27-29-82-31-33-84-61(78)71-23-9-12-45(38-71)73-56(65)53(57(66)74)54(70-73)41-15-19-46(20-16-41)85-52-22-18-44(63)36-49(52)64/h6-7,10,13,15-22,34,36,39,45,50-51,55,67H,8-9,11-12,14,23-33,35,37-38,65H2,1-5H3,(H2,66,74)(H,68,76)(H,69,75)/t39-,45+,50+,51-,55+/m0/s1 | 定義日: | 2020-03-24 | 最終更新日: | 2020-11-13 | 公開日: | 2020-11-18 | 識別子(ID): | 14-{[(3S)-2-(N-methyl-L-alanyl-3-methyl-L-valyl)-3-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-3,6,9,12-tetraoxatetradecan-1-yl (3R)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazol-1-yl}piperidine-1-carboxylate |
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![TL7 TL7](https://data.pdbj.org/pdbjplus/data/cc/svg/TL7.svg) | TL7 | 表記: | [5-({[(3S)-2-(N-methyl-L-alanyl-3-methyl-L-valyl)-3-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)pyrazin-2-yl]methyl (3R)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazol-1-yl}piperidine-1-carboxylate | 組成式: | C58 H65 F2 N11 O8 | SMILES: | c1cccc2C(CCCc12)NC(C3Cc4c(CN3C(C(C(C)(C)C)NC(C(C)NC)=O)=O)cc(cc4)OCc9cnc(COC(N5CCCC(C5)n6c(c(c(n6)c7ccc(cc7)Oc8ccc(F)cc8F)C(N)=O)N)=O)cn9)=O | InChi: | InChI=1S/C58H65F2N11O8/c1-33(63-5)54(73)67-51(58(2,3)4)56(75)70-29-37-24-43(21-17-36(37)25-47(70)55(74)66-46-14-8-11-34-10-6-7-13-44(34)46)77-31-39-27-65-40(28-64-39)32-78-57(76)69-23-9-12-41(30-69)71-52(61)49(53(62)72)50(68-71)35-15-19-42(20-16-35)79-48-22-18-38(59)26-45(48)60/h6-7,10,13,15-22,24,26-28,33,41,46-47,51,63H,8-9,11-12,14,23,25,29-32,61H2,1-5H3,(H2,62,72)(H,66,74)(H,67,73)/t33-,41+,46+,47-,51+/m0/s1 | 定義日: | 2020-03-25 | 最終更新日: | 2020-11-13 | 公開日: | 2020-11-18 | 識別子(ID): | [5-({[(3S)-2-(N-methyl-L-alanyl-3-methyl-L-valyl)-3-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)pyrazin-2-yl]methyl (3R)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazol-1-yl}piperidine-1-carboxylate |
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![V7M V7M](https://data.pdbj.org/pdbjplus/data/cc/svg/V7M.svg) | V7M | 表記: | 1-fluoro-3,5-dimethylbenzene | 組成式: | C8 H9 F | SMILES: | Cc1cc(cc(c1)C)F | InChi: | InChI=1S/C8H9F/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3 | 定義日: | 2020-07-13 | 最終更新日: | 2020-11-13 | 公開日: | 2020-11-18 | 識別子(ID): | 1-fluoro-3,5-dimethylbenzene |
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![R6W R6W](https://data.pdbj.org/pdbjplus/data/cc/svg/R6W.svg) | R6W | 表記: | (3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one | 組成式: | C40 H40 N6 O4 | SMILES: | Oc1ccc2C(=O)N[CH](c2c1)c3c(CNCCCCCCNCc4[nH]c5ccccc5c4[CH]6NC(=O)c7ccc(O)cc67)[nH]c8ccccc38 | InChi: | InChI=1S/C40H40N6O4/c47-23-13-15-25-29(19-23)37(45-39(25)49)35-27-9-3-5-11-31(27)43-33(35)21-41-17-7-1-2-8-18-42-22-34-36(28-10-4-6-12-32(28)44-34)38-30-20-24(48)14-16-26(30)40(50)46-38/h3-6,9-16,19-20,37-38,41-44,47-48H,1-2,7-8,17-18,21-22H2,(H,45,49)(H,46,50)/t37-,38-/m0/s1 | 定義日: | 2020-09-10 | 最終更新日: | 2020-11-13 | 公開日: | 2020-11-18 | 識別子(ID): | (3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one |
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![R7H R7H](https://data.pdbj.org/pdbjplus/data/cc/svg/R7H.svg) | R7H | 表記: | (4~{S},5~{R},6~{R})-5-acetamido-6-[(1~{R},2~{S})-3-[[1-(2-ethoxyethyl)-1,2,3-triazol-4-yl]methylsulfanyl]-1,2-bis(oxidanyl)propyl]-4-oxidanyl-oxane-2-carboxylic acid | 組成式: | C18 H30 N4 O8 S | SMILES: | CCOCCn1cc(CSC[CH](O)[CH](O)[CH]2O[CH](C[CH](O)[CH]2NC(C)=O)C(O)=O)nn1 | InChi: | InChI=1S/C18H30N4O8S/c1-3-29-5-4-22-7-11(20-21-22)8-31-9-13(25)16(26)17-15(19-10(2)23)12(24)6-14(30-17)18(27)28/h7,12-17,24-26H,3-6,8-9H2,1-2H3,(H,19,23)(H,27,28)/t12-,13+,14-,15+,16+,17+/m0/s1 | 定義日: | 2020-09-15 | 最終更新日: | 2020-11-13 | 公開日: | 2020-11-18 | 識別子(ID): | (4~{S},5~{R},6~{R})-5-acetamido-6-[(1~{R},2~{S})-3-[[1-(2-ethoxyethyl)-1,2,3-triazol-4-yl]methylsulfanyl]-1,2-bis(oxidanyl)propyl]-4-oxidanyl-oxane-2-carboxylic acid |
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![VB3 VB3](https://data.pdbj.org/pdbjplus/data/cc/svg/VB3.svg) | VB3 | 表記: | 2-({[(2S)-1-cyclohexylpropan-2-yl]amino}methyl)phenol | 組成式: | C16 H25 N O | SMILES: | CC(NCc1ccccc1O)CC2CCCCC2 | InChi: | InChI=1S/C16H25NO/c1-13(11-14-7-3-2-4-8-14)17-12-15-9-5-6-10-16(15)18/h5-6,9-10,13-14,17-18H,2-4,7-8,11-12H2,1H3/t13-/m0/s1 | 定義日: | 2019-05-17 | 最終更新日: | 2020-11-13 | 公開日: | 2020-11-18 | 識別子(ID): | 2-({[(2S)-1-cyclohexylpropan-2-yl]amino}methyl)phenol |
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![S1N S1N](https://data.pdbj.org/pdbjplus/data/cc/svg/S1N.svg) | S1N | 表記: | (~{E})-4-methylnon-4-enedial | 組成式: | C10 H16 O2 | SMILES: | CC(CCC=O)=CCCCC=O | InChi: | InChI=1S/C10H16O2/c1-10(7-5-9-12)6-3-2-4-8-11/h6,8-9H,2-5,7H2,1H3/b10-6+ | 定義日: | 2020-11-05 | 最終更新日: | 2020-11-13 | 公開日: | 2020-11-18 | 識別子(ID): | (~{E})-4-methylnon-4-enedial |
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![S1Z S1Z](https://data.pdbj.org/pdbjplus/data/cc/svg/S1Z.svg) | S1Z | 表記: | (2~{R})-2-[[3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol | 組成式: | C17 H18 N6 O | SMILES: | CC[CH](CO)Nc1ccc2ncc(n2n1)c3ccc4n[nH]cc4c3 | InChi: | InChI=1S/C17H18N6O/c1-2-13(10-24)20-16-5-6-17-18-9-15(23(17)22-16)11-3-4-14-12(7-11)8-19-21-14/h3-9,13,24H,2,10H2,1H3,(H,19,21)(H,20,22)/t13-/m1/s1 | 定義日: | 2020-11-06 | 最終更新日: | 2020-11-13 | 公開日: | 2020-11-18 | 識別子(ID): | (2~{R})-2-[[3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol |
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![NZ5 NZ5](https://data.pdbj.org/pdbjplus/data/cc/svg/NZ5.svg) | NZ5 | 表記: | (2~{R})-butane-1,2-diol | 組成式: | C4 H10 O2 | SMILES: | CC[CH](O)CO | InChi: | InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3/t4-/m1/s1 | 定義日: | 2020-01-13 | 最終更新日: | 2020-11-13 | 公開日: | 2020-11-18 | 識別子(ID): | (2~{R})-butane-1,2-diol |
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![NZ8 NZ8](https://data.pdbj.org/pdbjplus/data/cc/svg/NZ8.svg) | NZ8 | 表記: | 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-(5-oxidanylidene-6-pyridin-4-yl-pyrido[2,3-b][1,5]benzoxazepin-9-yl)urea | 組成式: | C25 H15 Cl F3 N5 O3 | SMILES: | FC(F)(F)c1cc(NC(=O)Nc2ccc3N(C(=O)c4cccnc4Oc3c2)c5ccncc5)ccc1Cl | InChi: | InChI=1S/C25H15ClF3N5O3/c26-19-5-3-14(12-18(19)25(27,28)29)32-24(36)33-15-4-6-20-21(13-15)37-22-17(2-1-9-31-22)23(35)34(20)16-7-10-30-11-8-16/h1-13H,(H2,32,33,36) | 定義日: | 2020-01-13 | 最終更新日: | 2020-11-13 | 公開日: | 2020-11-18 | 識別子(ID): | 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-(5-oxidanylidene-6-pyridin-4-yl-pyrido[2,3-b][1,5]benzoxazepin-9-yl)urea |
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![ULJ ULJ](https://data.pdbj.org/pdbjplus/data/cc/svg/ULJ.svg) | ULJ | 表記: | 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(2,5-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide | 組成式: | C18 H17 Br F N5 O3 | SMILES: | COc3ccc(OC)c(NC(=O)c2c(N)n(Cc1c(F)cc(cc1)Br)nn2)c3 | InChi: | InChI=1S/C18H17BrFN5O3/c1-27-12-5-6-15(28-2)14(8-12)22-18(26)16-17(21)25(24-23-16)9-10-3-4-11(19)7-13(10)20/h3-8H,9,21H2,1-2H3,(H,22,26) | 定義日: | 2020-05-21 | 最終更新日: | 2020-11-13 | 公開日: | 2020-11-18 | 識別子(ID): | 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(2,5-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide |
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![VFY VFY](https://data.pdbj.org/pdbjplus/data/cc/svg/VFY.svg) | VFY | 表記: | methyl (4~{R})-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate | 組成式: | C16 H16 F3 N2 O4 | SMILES: | COC(=O)C1=C(C)NC(=C([CH]1c2ccccc2C(F)(F)F)[N+]([OH-])=O)C | InChi: | InChI=1S/C16H16F3N2O4/c1-8-12(15(22)25-3)13(14(21(23)24)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,13,20,23H,1-3H3/t13-/m1/s1 | 定義日: | 2020-08-10 | 最終更新日: | 2020-11-13 | 公開日: | 2020-11-18 |
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![Y94 Y94](https://data.pdbj.org/pdbjplus/data/cc/svg/Y94.svg) | Y94 | 表記: | 2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]-5-{[(prop-2-en-1-yl)carbamoyl]amino}benzamide | 組成式: | C24 H25 N3 O2 | SMILES: | O=C(Nc1ccc(C)c(c1)C(NC(C)c2cccc3c2cccc3)=O)NCC=C | InChi: | InChI=1S/C24H25N3O2/c1-4-14-25-24(29)27-19-13-12-16(2)22(15-19)23(28)26-17(3)20-11-7-9-18-8-5-6-10-21(18)20/h4-13,15,17H,1,14H2,2-3H3,(H,26,28)(H2,25,27,29)/t17-/m1/s1 | 定義日: | 2020-11-10 | 最終更新日: | 2020-11-13 | 公開日: | 2020-11-18 | 識別子(ID): | 2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]-5-{[(prop-2-en-1-yl)carbamoyl]amino}benzamide |
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![Y96 Y96](https://data.pdbj.org/pdbjplus/data/cc/svg/Y96.svg) | Y96 | 表記: | 5-[(E)-(hydroxyimino)methyl]-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide | 組成式: | C21 H20 N2 O2 | SMILES: | O=C(c1c(ccc(C=NO)c1)C)NC(C)c2cccc3c2cccc3 | InChi: | InChI=1S/C21H20N2O2/c1-14-10-11-16(13-22-25)12-20(14)21(24)23-15(2)18-9-5-7-17-6-3-4-8-19(17)18/h3-13,15,25H,1-2H3,(H,23,24)/b22-13+/t15-/m1/s1 | 定義日: | 2020-11-10 | 最終更新日: | 2020-11-13 | 公開日: | 2020-11-18 | 識別子(ID): | 5-[(E)-(hydroxyimino)methyl]-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide |
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![O3W O3W](https://data.pdbj.org/pdbjplus/data/cc/svg/O3W.svg) | O3W | 表記: | ~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide | 組成式: | C10 H13 N O S | SMILES: | CN(CCS)C(=O)c1ccccc1 | InChi: | InChI=1S/C10H13NOS/c1-11(7-8-13)10(12)9-5-3-2-4-6-9/h2-6,13H,7-8H2,1H3 | 定義日: | 2020-01-27 | 最終更新日: | 2020-11-13 | 公開日: | 2020-11-18 | 識別子(ID): | ~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide |
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![O4E O4E](https://data.pdbj.org/pdbjplus/data/cc/svg/O4E.svg) | O4E | 表記: | 3-bromanyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide | 組成式: | C10 H12 Br N O S | SMILES: | CN(CCS)C(=O)c1cccc(Br)c1 | InChi: | InChI=1S/C10H12BrNOS/c1-12(5-6-14)10(13)8-3-2-4-9(11)7-8/h2-4,7,14H,5-6H2,1H3 | 定義日: | 2020-01-30 | 最終更新日: | 2020-11-13 | 公開日: | 2020-11-18 | 識別子(ID): | 3-bromanyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide |
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![O68 O68](https://data.pdbj.org/pdbjplus/data/cc/svg/O68.svg) | O68 | 表記: | 4-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide | 組成式: | C10 H12 F N O S | SMILES: | CN(CCS)C(=O)c1ccc(F)cc1 | InChi: | InChI=1S/C10H12FNOS/c1-12(6-7-14)10(13)8-2-4-9(11)5-3-8/h2-5,14H,6-7H2,1H3 | 定義日: | 2020-02-11 | 最終更新日: | 2020-11-13 | 公開日: | 2020-11-18 | 識別子(ID): | 4-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide |
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![O85 O85](https://data.pdbj.org/pdbjplus/data/cc/svg/O85.svg) | O85 | 表記: | 3-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide | 組成式: | C10 H12 F N O S | SMILES: | CN(CCS)C(=O)c1cccc(F)c1 | InChi: | InChI=1S/C10H12FNOS/c1-12(5-6-14)10(13)8-3-2-4-9(11)7-8/h2-4,7,14H,5-6H2,1H3 | 定義日: | 2020-02-19 | 最終更新日: | 2020-11-13 | 公開日: | 2020-11-18 | 識別子(ID): | 3-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide |
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![O9W O9W](https://data.pdbj.org/pdbjplus/data/cc/svg/O9W.svg) | O9W | 表記: | (~{E})-3-[4-chloranyl-2-[(5-methyl-1,2,3,4-tetrazol-2-yl)methyl]phenyl]-1-[(2~{R})-4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]prop-2-en-1-one | 組成式: | C24 H26 Cl F N6 O | SMILES: | C[CH]1CN(CCN1C(=O)C=Cc2ccc(Cl)cc2Cn3nnc(C)n3)Cc4ccc(F)cc4 | InChi: | InChI=1S/C24H26ClFN6O/c1-17-14-30(15-19-3-8-23(26)9-4-19)11-12-31(17)24(33)10-6-20-5-7-22(25)13-21(20)16-32-28-18(2)27-29-32/h3-10,13,17H,11-12,14-16H2,1-2H3/b10-6+/t17-/m1/s1 | 定義日: | 2020-02-25 | 最終更新日: | 2020-11-13 | 公開日: | 2020-11-18 | 識別子(ID): | (~{E})-3-[4-chloranyl-2-[(5-methyl-1,2,3,4-tetrazol-2-yl)methyl]phenyl]-1-[(2~{R})-4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]prop-2-en-1-one |
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![OJT OJT](https://data.pdbj.org/pdbjplus/data/cc/svg/OJT.svg) | OJT | 表記: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-(2-methoxyphenyl)propanoic acid | 組成式: | C36 H36 Cl2 N4 O5 S | SMILES: | COc1ccccc1C[CH](Oc2ncnc3sc(c4cccc(Cl)c4)c(c5ccc(OCCN6CCN(C)CC6)c(Cl)c5C)c23)C(O)=O | InChi: | InChI=1S/C36H36Cl2N4O5S/c1-22-26(11-12-28(32(22)38)46-18-17-42-15-13-41(2)14-16-42)30-31-34(47-29(36(43)44)20-23-7-4-5-10-27(23)45-3)39-21-40-35(31)48-33(30)24-8-6-9-25(37)19-24/h4-12,19,21,29H,13-18,20H2,1-3H3,(H,43,44)/t29-/m1/s1 | 定義日: | 2020-03-17 | 最終更新日: | 2020-11-13 | 公開日: | 2020-11-18 | 識別子(ID): | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-(2-methoxyphenyl)propanoic acid |
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