![L4Z L4Z](https://data.pdbj.org/pdbjplus/data/cc/svg/L4Z.svg) | L4Z | Name: | (2,5-dimethylpyrazol-3-yl)methylcarbamic acid | Formula: | C7 H11 N3 O2 | SMILES: | Cn1nc(C)cc1CNC(O)=O | InChi: | InChI=1S/C7H11N3O2/c1-5-3-6(10(2)9-5)4-8-7(11)12/h3,8H,4H2,1-2H3,(H,11,12) | Definition date: | 2019-07-22 | Last modified: | 2020-08-21 | Release date: | 2020-08-26 | Identifier: | (2,5-dimethylpyrazol-3-yl)methylcarbamic acid |
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![L5Q L5Q](https://data.pdbj.org/pdbjplus/data/cc/svg/L5Q.svg) | L5Q | Name: | 5-methyl-~{N}-[2,2,2-tris(fluoranyl)ethyl]-1,2-oxazole-3-carboxamide | Formula: | C7 H7 F3 N2 O2 | SMILES: | Cc1onc(c1)C(=O)NCC(F)(F)F | InChi: | InChI=1S/C7H7F3N2O2/c1-4-2-5(12-14-4)6(13)11-3-7(8,9)10/h2H,3H2,1H3,(H,11,13) | Definition date: | 2019-07-23 | Last modified: | 2020-08-21 | Release date: | 2020-08-26 | Identifier: | 5-methyl-~{N}-[2,2,2-tris(fluoranyl)ethyl]-1,2-oxazole-3-carboxamide |
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![L5W L5W](https://data.pdbj.org/pdbjplus/data/cc/svg/L5W.svg) | L5W | Name: | ~{N}-oxidanylbicyclo[2.2.1]heptane-1-carboxamide | Formula: | C8 H13 N O2 | SMILES: | ONC(=O)C12CCC(CC1)C2 | InChi: | InChI=1S/C8H13NO2/c10-7(9-11)8-3-1-6(5-8)2-4-8/h6,11H,1-5H2,(H,9,10)/t6-,8- | Definition date: | 2019-07-23 | Last modified: | 2020-08-21 | Release date: | 2020-08-26 | Identifier: | ~{N}-oxidanylbicyclo[2.2.1]heptane-1-carboxamide |
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![L7H L7H](https://data.pdbj.org/pdbjplus/data/cc/svg/L7H.svg) | L7H | Name: | ~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-7-methoxy-2-methyl-6-[(3~{S})-oxolan-3-yl]oxy-quinazolin-4-amine | Formula: | C23 H25 F3 N4 O3 | SMILES: | COc1cc2nc(C)nc(N[CH](C)c3cc(N)cc(c3)C(F)(F)F)c2cc1O[CH]4CCOC4 | InChi: | InChI=1S/C23H25F3N4O3/c1-12(14-6-15(23(24,25)26)8-16(27)7-14)28-22-18-9-21(33-17-4-5-32-11-17)20(31-3)10-19(18)29-13(2)30-22/h6-10,12,17H,4-5,11,27H2,1-3H3,(H,28,29,30)/t12-,17+/m1/s1 | Definition date: | 2019-07-24 | Last modified: | 2020-08-21 | Release date: | 2020-08-26 | Identifier: | ~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-7-methoxy-2-methyl-6-[(3~{S})-oxolan-3-yl]oxy-quinazolin-4-amine |
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![L7K L7K](https://data.pdbj.org/pdbjplus/data/cc/svg/L7K.svg) | L7K | Name: | [(~{R})-cyclohexyl-[1-(2-phenylethyl)-1,2,3,4-tetrazol-5-yl]methyl]diazane | Formula: | C16 H24 N6 | SMILES: | NN[CH](C1CCCCC1)c2nnnn2CCc3ccccc3 | InChi: | InChI=1S/C16H24N6/c17-18-15(14-9-5-2-6-10-14)16-19-20-21-22(16)12-11-13-7-3-1-4-8-13/h1,3-4,7-8,14-15,18H,2,5-6,9-12,17H2/t15-/m1/s1 | Definition date: | 2019-07-25 | Last modified: | 2020-08-21 | Release date: | 2020-08-26 | Identifier: | [(~{R})-cyclohexyl-[1-(2-phenylethyl)-1,2,3,4-tetrazol-5-yl]methyl]diazane |
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![88B 88B](https://data.pdbj.org/pdbjplus/data/cc/svg/88B.svg) | 88B | Name: | 4-diazanyl-4-oxidanylidene-butanoic acid | Formula: | C4 H8 N2 O3 | SMILES: | NNC(=O)CCC(O)=O | InChi: | InChI=1S/C4H8N2O3/c5-6-3(7)1-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9) | Definition date: | 2019-07-25 | Last modified: | 2020-08-21 | Release date: | 2020-08-26 | Identifier: | 4-diazanyl-4-oxidanylidene-butanoic acid |
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![QMT QMT](https://data.pdbj.org/pdbjplus/data/cc/svg/QMT.svg) | QMT | Name: | 2-[6-azanyl-5-[(3~{R})-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol | Formula: | C21 H22 N4 O2 | SMILES: | Nc1nnc(cc1N2CCC[CH](C2)Oc3ccccc3)c4ccccc4O | InChi: | InChI=1S/C21H22N4O2/c22-21-19(13-18(23-24-21)17-10-4-5-11-20(17)26)25-12-6-9-16(14-25)27-15-7-2-1-3-8-15/h1-5,7-8,10-11,13,16,26H,6,9,12,14H2,(H2,22,24)/t16-/m1/s1 | Synonyms: | MW278 | Definition date: | 2020-07-06 | Last modified: | 2020-08-21 | Release date: | 2020-08-26 | Identifier: | 2-[6-azanyl-5-[(3~{R})-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol |
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![QMW QMW](https://data.pdbj.org/pdbjplus/data/cc/svg/QMW.svg) | QMW | Name: | 1-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol | Formula: | C15 H18 N4 O2 | SMILES: | Nc1nnc(cc1N2CCC(O)CC2)c3ccccc3O | InChi: | InChI=1S/C15H18N4O2/c16-15-13(19-7-5-10(20)6-8-19)9-12(17-18-15)11-3-1-2-4-14(11)21/h1-4,9-10,20-21H,5-8H2,(H2,16,18) | Synonyms: | DP28 | Definition date: | 2020-07-06 | Last modified: | 2020-08-21 | Release date: | 2020-08-26 | Identifier: | 1-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol |
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![QPW QPW](https://data.pdbj.org/pdbjplus/data/cc/svg/QPW.svg) | QPW | Name: | 2-[(3-chlorophenyl)methylamino]-7-methoxy-~{N}-[[(3~{S})-oxolan-3-yl]methyl]-~{N}-propyl-1,3-benzoxazole-5-carboxamide | Formula: | C24 H28 Cl N3 O4 | SMILES: | CCCN(C[CH]1CCOC1)C(=O)c2cc(OC)c3oc(NCc4cccc(Cl)c4)nc3c2 | InChi: | InChI=1S/C24H28ClN3O4/c1-3-8-28(14-17-7-9-31-15-17)23(29)18-11-20-22(21(12-18)30-2)32-24(27-20)26-13-16-5-4-6-19(25)10-16/h4-6,10-12,17H,3,7-9,13-15H2,1-2H3,(H,26,27)/t17-/m0/s1 | Definition date: | 2020-07-22 | Last modified: | 2020-08-21 | Release date: | 2020-08-26 | Identifier: | 2-[(3-chlorophenyl)methylamino]-7-methoxy-~{N}-[[(3~{S})-oxolan-3-yl]methyl]-~{N}-propyl-1,3-benzoxazole-5-carboxamide |
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![QQ5 QQ5](https://data.pdbj.org/pdbjplus/data/cc/svg/QQ5.svg) | QQ5 | Name: | [2-[(3-chlorophenyl)methylamino]-7-methoxy-1,3-benzoxazol-5-yl]-[(3~{R},4~{R})-3-methyl-4-oxidanyl-piperidin-1-yl]methanone | Formula: | C22 H24 Cl N3 O4 | SMILES: | COc1cc(cc2nc(NCc3cccc(Cl)c3)oc12)C(=O)N4CC[CH](O)[CH](C)C4 | InChi: | InChI=1S/C22H24ClN3O4/c1-13-12-26(7-6-18(13)27)21(28)15-9-17-20(19(10-15)29-2)30-22(25-17)24-11-14-4-3-5-16(23)8-14/h3-5,8-10,13,18,27H,6-7,11-12H2,1-2H3,(H,24,25)/t13-,18-/m1/s1 | Definition date: | 2020-07-23 | Last modified: | 2020-08-21 | Release date: | 2020-08-26 | Identifier: | [2-[(3-chlorophenyl)methylamino]-7-methoxy-1,3-benzoxazol-5-yl]-[(3~{R},4~{R})-3-methyl-4-oxidanyl-piperidin-1-yl]methanone |
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![QQE QQE](https://data.pdbj.org/pdbjplus/data/cc/svg/QQE.svg) | QQE | Name: | [2-[[(1~{R})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{S},5~{S})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone | Formula: | C24 H28 Cl N3 O5 | SMILES: | COc1cc(cc2nc(N[CH](C)c3cccc(Cl)c3)oc12)C(=O)N4C[CH](C)OC[CH]4CCO | InChi: | InChI=1S/C24H28ClN3O5/c1-14-12-28(19(7-8-29)13-32-14)23(30)17-10-20-22(21(11-17)31-3)33-24(27-20)26-15(2)16-5-4-6-18(25)9-16/h4-6,9-11,14-15,19,29H,7-8,12-13H2,1-3H3,(H,26,27)/t14-,15+,19-/m0/s1 | Definition date: | 2020-07-24 | Last modified: | 2020-08-21 | Release date: | 2020-08-26 | Identifier: | [2-[[(1~{R})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{S},5~{S})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone |
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![QQK QQK](https://data.pdbj.org/pdbjplus/data/cc/svg/QQK.svg) | QQK | Name: | [2-[[(1~{R})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{S},5~{R})-5-ethyl-2-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone | Formula: | C26 H32 Cl N3 O5 | SMILES: | CC[CH]1CO[C](C)(CCO)CN1C(=O)c2cc(OC)c3oc(N[CH](C)c4cccc(Cl)c4)nc3c2 | InChi: | InChI=1S/C26H32ClN3O5/c1-5-20-14-34-26(3,9-10-31)15-30(20)24(32)18-12-21-23(22(13-18)33-4)35-25(29-21)28-16(2)17-7-6-8-19(27)11-17/h6-8,11-13,16,20,31H,5,9-10,14-15H2,1-4H3,(H,28,29)/t16-,20-,26+/m1/s1 | Definition date: | 2020-07-24 | Last modified: | 2020-08-21 | Release date: | 2020-08-26 | Identifier: | [2-[[(1~{R})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{S},5~{R})-5-ethyl-2-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone |
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![QQT QQT](https://data.pdbj.org/pdbjplus/data/cc/svg/QQT.svg) | QQT | Name: | [2-[[(1~{S})-1-(3-chlorophenyl)-2-fluoranyl-ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{S},5~{S})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone | Formula: | C24 H27 Cl F N3 O5 | SMILES: | COc1cc(cc2nc(N[CH](CF)c3cccc(Cl)c3)oc12)C(=O)N4C[CH](C)OC[CH]4CCO | InChi: | InChI=1S/C24H27ClFN3O5/c1-14-12-29(18(6-7-30)13-33-14)23(31)16-9-19-22(21(10-16)32-2)34-24(27-19)28-20(11-26)15-4-3-5-17(25)8-15/h3-5,8-10,14,18,20,30H,6-7,11-13H2,1-2H3,(H,27,28)/t14-,18-,20+/m0/s1 | Definition date: | 2020-07-24 | Last modified: | 2020-08-21 | Release date: | 2020-08-26 | Identifier: | [2-[[(1~{S})-1-(3-chlorophenyl)-2-fluoranyl-ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{S},5~{S})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone |
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![QQW QQW](https://data.pdbj.org/pdbjplus/data/cc/svg/QQW.svg) | QQW | Name: | [2-[[(1~{R})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{R},5~{R})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone | Formula: | C24 H28 Cl N3 O5 | SMILES: | COc1cc(cc2nc(N[CH](C)c3cccc(Cl)c3)oc12)C(=O)N4C[CH](C)OC[CH]4CCO | InChi: | InChI=1S/C24H28ClN3O5/c1-14-12-28(19(7-8-29)13-32-14)23(30)17-10-20-22(21(11-17)31-3)33-24(27-20)26-15(2)16-5-4-6-18(25)9-16/h4-6,9-11,14-15,19,29H,7-8,12-13H2,1-3H3,(H,26,27)/t14-,15-,19-/m1/s1 | Definition date: | 2020-07-24 | Last modified: | 2020-08-21 | Release date: | 2020-08-26 | Identifier: | [2-[[(1~{R})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{R},5~{R})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone |
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![QTD QTD](https://data.pdbj.org/pdbjplus/data/cc/svg/QTD.svg) | QTD | Name: | 4-phenoxybenzene-1-sulfonamide | Formula: | C12 H11 N O3 S | SMILES: | c2(Oc1ccc(S(N)(=O)=O)cc1)ccccc2 | InChi: | InChI=1S/C12H11NO3S/c13-17(14,15)12-8-6-11(7-9-12)16-10-4-2-1-3-5-10/h1-9H,(H2,13,14,15) | Definition date: | 2019-12-18 | Last modified: | 2020-08-21 | Release date: | 2020-08-26 | Identifier: | 4-phenoxybenzene-1-sulfonamide |
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![QTG QTG](https://data.pdbj.org/pdbjplus/data/cc/svg/QTG.svg) | QTG | Name: | 4-fluoro-2-methyl-N-propylbenzene-1-sulfonamide | Formula: | C10 H14 F N O2 S | SMILES: | c1c(c(cc(c1)F)C)S(NCCC)(=O)=O | InChi: | InChI=1S/C10H14FNO2S/c1-3-6-12-15(13,14)10-5-4-9(11)7-8(10)2/h4-5,7,12H,3,6H2,1-2H3 | Definition date: | 2019-12-18 | Last modified: | 2020-08-21 | Release date: | 2020-08-26 | Identifier: | 4-fluoro-2-methyl-N-propylbenzene-1-sulfonamide |
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![QTJ QTJ](https://data.pdbj.org/pdbjplus/data/cc/svg/QTJ.svg) | QTJ | Name: | 4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide | Formula: | C12 H9 Cl F N O3 S | SMILES: | NS(c1ccc(cc1)Oc2cc(c(cc2)F)Cl)(=O)=O | InChi: | InChI=1S/C12H9ClFNO3S/c13-11-7-9(3-6-12(11)14)18-8-1-4-10(5-2-8)19(15,16)17/h1-7H,(H2,15,16,17) | Definition date: | 2019-12-18 | Last modified: | 2020-08-21 | Release date: | 2020-08-26 | Identifier: | 4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide |
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![QTM QTM](https://data.pdbj.org/pdbjplus/data/cc/svg/QTM.svg) | QTM | Name: | 3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide | Formula: | C14 H14 Cl F N2 O3 S | SMILES: | NCCc1cc(S(N)(=O)=O)ccc1Oc2ccc(c(Cl)c2)F | InChi: | InChI=1S/C14H14ClFN2O3S/c15-12-8-10(1-3-13(12)16)21-14-4-2-11(22(18,19)20)7-9(14)5-6-17/h1-4,7-8H,5-6,17H2,(H2,18,19,20) | Definition date: | 2019-12-18 | Last modified: | 2020-08-21 | Release date: | 2020-08-26 | Identifier: | 3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide |
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![QTS QTS](https://data.pdbj.org/pdbjplus/data/cc/svg/QTS.svg) | QTS | Name: | 1-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine | Formula: | C14 H12 Cl N3 | SMILES: | n3c1c(cccc1)n(Cc2ccc(cc2)Cl)c3N | InChi: | InChI=1S/C14H12ClN3/c15-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17) | Definition date: | 2019-12-18 | Last modified: | 2020-08-21 | Release date: | 2020-08-26 | Identifier: | 1-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine |
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![QTV QTV](https://data.pdbj.org/pdbjplus/data/cc/svg/QTV.svg) | QTV | Name: | 1-[(4-fluorophenyl)methyl]-2-methyl-4-nitro-1H-imidazole | Formula: | C11 H10 F N3 O2 | SMILES: | n2c(cn(Cc1ccc(cc1)F)c2C)[N+]([O-])=O | InChi: | InChI=1S/C11H10FN3O2/c1-8-13-11(15(16)17)7-14(8)6-9-2-4-10(12)5-3-9/h2-5,7H,6H2,1H3 | Definition date: | 2019-12-18 | Last modified: | 2020-08-21 | Release date: | 2020-08-26 | Identifier: | 1-[(4-fluorophenyl)methyl]-2-methyl-4-nitro-1H-imidazole |
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![QF4 QF4](https://data.pdbj.org/pdbjplus/data/cc/svg/QF4.svg) | QF4 | Name: | benzyl [(1S)-2-(3-{[(4-carbamoylpiperidin-1-yl)(fluoro)oxo-lambda~6~-sulfanylidene]amino}phenyl)-1-cyanoethyl]carbamate | Formula: | C23 H26 F N5 O4 S | SMILES: | N3(S(F)(=Nc2cccc(CC(C#N)NC(=O)OCc1ccccc1)c2)=O)CCC(CC3)C(=O)N | InChi: | InChI=1S/C23H26FN5O4S/c24-34(32,29-11-9-19(10-12-29)22(26)30)28-20-8-4-7-18(13-20)14-21(15-25)27-23(31)33-16-17-5-2-1-3-6-17/h1-8,13,19,21H,9-12,14,16H2,(H2,26,30)(H,27,31)/t21-,34-/m0/s1 | Definition date: | 2019-10-21 | Last modified: | 2020-08-21 | Release date: | 2020-08-26 | Identifier: | benzyl [(1S)-2-(3-{[(4-carbamoylpiperidin-1-yl)(fluoro)oxo-lambda~6~-sulfanylidene]amino}phenyl)-1-cyanoethyl]carbamate |
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![N2E N2E](https://data.pdbj.org/pdbjplus/data/cc/svg/N2E.svg) | N2E | Name: | ~{N}-[4-fluoranyl-3-[6-(3-methylpyridin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide | Formula: | C23 H18 F N7 O2 | SMILES: | Cc1oc(c(C)n1)C(=O)Nc2ccc(F)c(c2)c3nn4cc(cnc4n3)c5ncccc5C | InChi: | InChI=1S/C23H18FN7O2/c1-12-5-4-8-25-19(12)15-10-26-23-29-21(30-31(23)11-15)17-9-16(6-7-18(17)24)28-22(32)20-13(2)27-14(3)33-20/h4-11H,1-3H3,(H,28,32) | Definition date: | 2019-11-07 | Last modified: | 2020-08-21 | Release date: | 2020-08-26 | Identifier: | ~{N}-[4-fluoranyl-3-[6-(3-methylpyridin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide |
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![N6H N6H](https://data.pdbj.org/pdbjplus/data/cc/svg/N6H.svg) | N6H | Name: | [2-[(3-chlorophenyl)methylamino]-7-methoxy-1,3-benzoxazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone | Formula: | C22 H24 Cl N3 O4 | SMILES: | COc1cc(cc2nc(NCc3cccc(Cl)c3)oc12)C(=O)N4CCOC(C)(C)C4 | InChi: | InChI=1S/C22H24ClN3O4/c1-22(2)13-26(7-8-29-22)20(27)15-10-17-19(18(11-15)28-3)30-21(25-17)24-12-14-5-4-6-16(23)9-14/h4-6,9-11H,7-8,12-13H2,1-3H3,(H,24,25) | Definition date: | 2019-11-14 | Last modified: | 2020-08-21 | Release date: | 2020-08-26 | Identifier: | [2-[(3-chlorophenyl)methylamino]-7-methoxy-1,3-benzoxazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone |
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![N8Q N8Q](https://data.pdbj.org/pdbjplus/data/cc/svg/N8Q.svg) | N8Q | Name: | 4-[[(2~{S})-oxolan-2-yl]methyl]-3-pyridin-3-yl-1~{H}-1,2,4-triazole-5-thione | Formula: | C12 H14 N4 O S | SMILES: | S=C1NN=C(N1C[CH]2CCCO2)c3cccnc3 | InChi: | InChI=1S/C12H14N4OS/c18-12-15-14-11(9-3-1-5-13-7-9)16(12)8-10-4-2-6-17-10/h1,3,5,7,10H,2,4,6,8H2,(H,15,18)/t10-/m0/s1 | Definition date: | 2019-11-15 | Last modified: | 2020-08-21 | Release date: | 2020-08-26 | Identifier: | 4-[[(2~{S})-oxolan-2-yl]methyl]-3-pyridin-3-yl-1~{H}-1,2,4-triazole-5-thione |
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![M9Q M9Q](https://data.pdbj.org/pdbjplus/data/cc/svg/M9Q.svg) | M9Q | Name: | ethyl (~{Z})-3-[1-[(~{E},1~{R},4~{R})-4-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[(2~{Z})-2-[(3~{S},5~{R})-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]-1-oxidanyl-pent-2-enyl]cyclopropyl]prop-2-enoate | Formula: | C32 H46 O5 | SMILES: | CCOC(=O)C=CC1(CC1)[CH](O)C=C[CH](C)[CH]2CC[CH]3C(CCC[C]23C)=CC=C4C[CH](O)C[CH](O)C4=C | InChi: | InChI=1S/C32H46O5/c1-5-37-30(36)14-16-32(17-18-32)29(35)13-8-21(2)26-11-12-27-23(7-6-15-31(26,27)4)9-10-24-19-25(33)20-28(34)22(24)3/h8-10,13-14,16,21,25-29,33-35H,3,5-7,11-12,15,17-20H2,1-2,4H3/b13-8+,16-14-,23-9+,24-10-/t21-,25-,26-,27+,28+,29-,31-/m1/s1 | Definition date: | 2019-10-09 | Last modified: | 2020-08-21 | Release date: | 2020-08-26 | Identifier: | ethyl (~{Z})-3-[1-[(~{E},1~{R},4~{R})-4-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[(2~{Z})-2-[(3~{S},5~{R})-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]-1-oxidanyl-pent-2-enyl]cyclopropyl]prop-2-enoate |
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