![E4O E4O](https://data.pdbj.org/pdbjplus/data/cc/svg/E4O.svg) | E4O | Name: | (2S,3R)-2-azanyl-N-[(E)-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-3-oxidanyl-butanamide | Formula: | C16 H18 Cl2 N4 O3 | SMILES: | C[CH](O)[CH](N)C(=O)NCC=CCN1C=Nc2cc(Cl)c(Cl)cc2C1=O | InChi: | InChI=1S/C16H18Cl2N4O3/c1-9(23)14(19)15(24)20-4-2-3-5-22-8-21-13-7-12(18)11(17)6-10(13)16(22)25/h2-3,6-9,14,23H,4-5,19H2,1H3,(H,20,24)/b3-2+/t9-,14+/m1/s1 | Definition date: | 2019-10-10 | Last modified: | 2020-01-10 | Release date: | 2020-01-15 | Identifier: | (2~{S},3~{R})-2-azanyl-~{N}-[(~{E})-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-3-oxidanyl-butanamide |
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![HO8 HO8](https://data.pdbj.org/pdbjplus/data/cc/svg/HO8.svg) | HO8 | Name: | 3-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide | Formula: | C25 H23 F3 N8 O2 | SMILES: | Cc1ccc(cc1Nc2nc(nc(n2)n3ccnc3)N4CCOCC4)C(=O)Nc5cccc(c5)C(F)(F)F | InChi: | InChI=1S/C25H23F3N8O2/c1-16-5-6-17(21(37)30-19-4-2-3-18(14-19)25(26,27)28)13-20(16)31-22-32-23(35-9-11-38-12-10-35)34-24(33-22)36-8-7-29-15-36/h2-8,13-15H,9-12H2,1H3,(H,30,37)(H,31,32,33,34) | Definition date: | 2018-12-14 | Last modified: | 2020-01-10 | Release date: | 2020-01-15 | Identifier: | 3-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide |
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![IHQ IHQ](https://data.pdbj.org/pdbjplus/data/cc/svg/IHQ.svg) | IHQ | Name: | 2-heptyl-3-iodanyl-1-oxidanyl-quinolin-4-one | Formula: | C16 H20 I N O2 | SMILES: | CCCCCCCC1=C(I)C(=O)c2ccccc2N1O | InChi: | InChI=1S/C16H20INO2/c1-2-3-4-5-6-11-14-15(17)16(19)12-9-7-8-10-13(12)18(14)20/h7-10,20H,2-6,11H2,1H3 | Definition date: | 2019-09-06 | Last modified: | 2020-01-10 | Release date: | 2020-01-15 | Identifier: | 2-heptyl-3-iodanyl-1-oxidanyl-quinolin-4-one |
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![N2V N2V](https://data.pdbj.org/pdbjplus/data/cc/svg/N2V.svg) | N2V | Name: | N-{(3S,8S)-3-{4-[(3,4-dichlorophenyl)methoxy]phenyl}-7-[(1S)-1-phenylpropyl]-2,3,6,7,8,9-hexahydro[1,4]dioxino[2,3-g]isoquinoline-8-carbonyl}-4-(2,3-dimethylpyridin-4-yl)-L-phenylalanine | Formula: | C50 H47 Cl2 N3 O6 | SMILES: | c2(ccc(OCc1cc(Cl)c(cc1)Cl)cc2)C7Oc6cc5CN(C(C(=O)NC(C(=O)O)Cc4ccc(c3c(c(C)ncc3)C)cc4)Cc5cc6OC7)C(c8ccccc8)CC | InChi: | InChI=1S/C50H47Cl2N3O6/c1-4-44(35-8-6-5-7-9-35)55-27-38-26-47-46(60-29-48(61-47)36-15-17-39(18-16-36)59-28-33-12-19-41(51)42(52)22-33)25-37(38)24-45(55)49(56)54-43(50(57)58)23-32-10-13-34(14-11-32)40-20-21-53-31(3)30(40)2/h5-22,25-26,43-45,48H,4,23-24,27-29H2,1-3H3,(H,54,56)(H,57,58)/t43-,44-,45-,48+/m0/s1 | Definition date: | 2019-05-01 | Last modified: | 2020-01-03 | Release date: | 2020-01-08 | Identifier: | N-{(3S,8S)-3-{4-[(3,4-dichlorophenyl)methoxy]phenyl}-7-[(1S)-1-phenylpropyl]-2,3,6,7,8,9-hexahydro[1,4]dioxino[2,3-g]isoquinoline-8-carbonyl}-4-(2,3-dimethylpyridin-4-yl)-L-phenylalanine |
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![EGH EGH](https://data.pdbj.org/pdbjplus/data/cc/svg/EGH.svg) | EGH | Name: | (4~{R})-4-(5-bromanyl-2-fluoranyl-phenyl)-5,6,7-trimethoxy-3,4-dihydro-1~{H}-quinolin-2-one | Formula: | C18 H17 Br F N O4 | SMILES: | COc1cc2NC(=O)C[CH](c3cc(Br)ccc3F)c2c(OC)c1OC | InChi: | InChI=1S/C18H17BrFNO4/c1-23-14-8-13-16(18(25-3)17(14)24-2)11(7-15(22)21-13)10-6-9(19)4-5-12(10)20/h4-6,8,11H,7H2,1-3H3,(H,21,22)/t11-/m0/s1 | Definition date: | 2018-03-18 | Last modified: | 2020-01-03 | Release date: | 2020-01-08 | Identifier: | (4~{R})-4-(5-bromanyl-2-fluoranyl-phenyl)-5,6,7-trimethoxy-3,4-dihydro-1~{H}-quinolin-2-one |
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![EGN EGN](https://data.pdbj.org/pdbjplus/data/cc/svg/EGN.svg) | EGN | Name: | 4-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-quinolin-2-one | Formula: | C23 H32 N3 O2 S | SMILES: | CCN1C(=O)C=C(SCC(=O)N2CC[NH+](CC2)C3CCCCC3)c4ccccc14 | InChi: | InChI=1S/C23H31N3O2S/c1-2-26-20-11-7-6-10-19(20)21(16-22(26)27)29-17-23(28)25-14-12-24(13-15-25)18-8-4-3-5-9-18/h6-7,10-11,16,18H,2-5,8-9,12-15,17H2,1H3/p+1 | Definition date: | 2018-03-19 | Last modified: | 2020-01-03 | Release date: | 2020-01-08 | Identifier: | 4-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-quinolin-2-one |
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![NVN NVN](https://data.pdbj.org/pdbjplus/data/cc/svg/NVN.svg) | NVN | Name: | 1-[6,8-bis(fluoranyl)-2-methyl-quinolin-4-yl]-3-[4-(dimethylamino)phenyl]urea | Formula: | C19 H18 F2 N4 O | SMILES: | CN(C)c1ccc(NC(=O)Nc2cc(C)nc3c(F)cc(F)cc23)cc1 | InChi: | InChI=1S/C19H18F2N4O/c1-11-8-17(15-9-12(20)10-16(21)18(15)22-11)24-19(26)23-13-4-6-14(7-5-13)25(2)3/h4-10H,1-3H3,(H2,22,23,24,26) | Definition date: | 2019-12-16 | Last modified: | 2019-12-27 | Release date: | 2020-01-01 | Identifier: | 1-[6,8-bis(fluoranyl)-2-methyl-quinolin-4-yl]-3-[4-(dimethylamino)phenyl]urea |
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![NQ5 NQ5](https://data.pdbj.org/pdbjplus/data/cc/svg/NQ5.svg) | NQ5 | Name: | 2-methoxy-~{N}-[2-methoxy-5-[7-[[(2~{R})-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]ethanesulfonamide | Formula: | C25 H33 N3 O8 S | SMILES: | COCC[S](=O)(=O)Nc1cc(cnc1OC)c2cc3COCc3c(OC[CH]4CN(CCO4)C5COC5)c2 | InChi: | InChI=1S/C25H33N3O8S/c1-31-5-6-37(29,30)27-23-8-18(10-26-25(23)32-2)17-7-19-12-33-16-22(19)24(9-17)36-15-21-11-28(3-4-35-21)20-13-34-14-20/h7-10,20-21,27H,3-6,11-16H2,1-2H3/t21-/m1/s1 | Definition date: | 2019-12-11 | Last modified: | 2019-12-27 | Release date: | 2020-01-01 | Identifier: | 2-methoxy-~{N}-[2-methoxy-5-[7-[[(2~{R})-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]ethanesulfonamide |
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![L7Y L7Y](https://data.pdbj.org/pdbjplus/data/cc/svg/L7Y.svg) | L7Y | Name: | 5-(4-chlorophenyl)-3-({[3-(morpholine-4-carbonyl)phenyl]amino}methyl)pyridin-2(1H)-one | Formula: | C23 H22 Cl N3 O3 | SMILES: | Clc1ccc(cc1)C2=CNC(=O)C(=C2)CNc3cccc(c3)C(N4CCOCC4)=O | InChi: | InChI=1S/C23H22ClN3O3/c24-20-6-4-16(5-7-20)18-12-19(22(28)26-14-18)15-25-21-3-1-2-17(13-21)23(29)27-8-10-30-11-9-27/h1-7,12-14,25H,8-11,15H2,(H,26,28) | Definition date: | 2019-02-11 | Last modified: | 2019-12-27 | Release date: | 2020-01-01 | Identifier: | 5-(4-chlorophenyl)-3-({[3-(morpholine-4-carbonyl)phenyl]amino}methyl)pyridin-2(1H)-one |
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![MFE MFE](https://data.pdbj.org/pdbjplus/data/cc/svg/MFE.svg) | MFE | Name: | ~{N}-[(4-chlorophenyl)methyl]quinazolin-4-amine | Formula: | C15 H12 Cl N3 | SMILES: | Clc1ccc(CNc2ncnc3ccccc23)cc1 | InChi: | InChI=1S/C15H12ClN3/c16-12-7-5-11(6-8-12)9-17-15-13-3-1-2-4-14(13)18-10-19-15/h1-8,10H,9H2,(H,17,18,19) | Definition date: | 2019-10-12 | Last modified: | 2019-12-27 | Release date: | 2020-01-01 | Identifier: | ~{N}-[(4-chlorophenyl)methyl]quinazolin-4-amine |
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![PWA PWA](https://data.pdbj.org/pdbjplus/data/cc/svg/PWA.svg) | PWA | Name: | 7-fluoroquinazolin-4(3H)-one | Formula: | C8 H5 F N2 O | SMILES: | N1C(c2c(N=C1)cc(cc2)F)=O | InChi: | InChI=1S/C8H5FN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h1-4H,(H,10,11,12) | Definition date: | 2019-08-27 | Last modified: | 2019-12-20 | Release date: | 2019-12-25 | Identifier: | 7-fluoroquinazolin-4(3H)-one |
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![PWM PWM](https://data.pdbj.org/pdbjplus/data/cc/svg/PWM.svg) | PWM | Name: | 5-fluoroquinazolin-4(3H)-one | Formula: | C8 H5 F N2 O | SMILES: | N1C(=O)c2c(N=C1)cccc2F | InChi: | InChI=1S/C8H5FN2O/c9-5-2-1-3-6-7(5)8(12)11-4-10-6/h1-4H,(H,10,11,12) | Definition date: | 2019-08-27 | Last modified: | 2019-12-20 | Release date: | 2019-12-25 | Identifier: | 5-fluoroquinazolin-4(3H)-one |
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![PWP PWP](https://data.pdbj.org/pdbjplus/data/cc/svg/PWP.svg) | PWP | Name: | 6-fluoroquinazolin-4(3H)-one | Formula: | C8 H5 F N2 O | SMILES: | N2C(c1cc(F)ccc1N=C2)=O | InChi: | InChI=1S/C8H5FN2O/c9-5-1-2-7-6(3-5)8(12)11-4-10-7/h1-4H,(H,10,11,12) | Definition date: | 2019-08-27 | Last modified: | 2019-12-20 | Release date: | 2019-12-25 | Identifier: | 6-fluoroquinazolin-4(3H)-one |
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![OHY OHY](https://data.pdbj.org/pdbjplus/data/cc/svg/OHY.svg) | OHY | Name: | 6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-propanoylpiperazin-1-yl)-1-[2-(propan-2-yl)phenyl]quinazolin-2(1H)-one | Formula: | C30 H30 Cl F N4 O3 | SMILES: | CC(C)c1c(cccc1)N3c2cc(c(cc2C(=NC3=O)N4CCN(CC4)C(CC)=O)Cl)c5c(F)cccc5O | InChi: | InChI=1S/C30H30ClFN4O3/c1-4-27(38)34-12-14-35(15-13-34)29-21-16-22(31)20(28-23(32)9-7-11-26(28)37)17-25(21)36(30(39)33-29)24-10-6-5-8-19(24)18(2)3/h5-11,16-18,37H,4,12-15H2,1-3H3 | Definition date: | 2019-06-25 | Last modified: | 2019-12-20 | Release date: | 2019-12-25 | Identifier: | 6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-propanoylpiperazin-1-yl)-1-[2-(propan-2-yl)phenyl]quinazolin-2(1H)-one |
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![QNL QNL](https://data.pdbj.org/pdbjplus/data/cc/svg/QNL.svg) | QNL | Name: | ~{N}-[2-methanoyl-4-(2-methylpropoxy)quinolin-8-yl]ethanamide | Formula: | C16 H18 N2 O3 | SMILES: | CC(C)COc1cc(C=O)nc2c(NC(C)=O)cccc12 | InChi: | InChI=1S/C16H18N2O3/c1-10(2)9-21-15-7-12(8-19)18-16-13(15)5-4-6-14(16)17-11(3)20/h4-8,10H,9H2,1-3H3,(H,17,20) | Definition date: | 2018-12-04 | Last modified: | 2019-12-20 | Release date: | 2019-12-25 | Identifier: | ~{N}-[2-methanoyl-4-(2-methylpropoxy)quinolin-8-yl]ethanamide |
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![QZS QZS](https://data.pdbj.org/pdbjplus/data/cc/svg/QZS.svg) | QZS | Name: | ~{N}-[[3-[3-[4-[2-(8-azanyl-2-methanoyl-quinolin-4-yl)oxyethyl]-1,2,3-triazol-1-yl]propoxy]phenyl]methyl]-4-sulfamoyl-benzamide | Formula: | C31 H31 N7 O6 S | SMILES: | Nc1cccc2c(OCCc3cn(CCCOc4cccc(CNC(=O)c5ccc(cc5)[S](N)(=O)=O)c4)nn3)cc(C=O)nc12 | InChi: | InChI=1S/C31H31N7O6S/c32-28-7-2-6-27-29(17-24(20-39)35-30(27)28)44-15-12-23-19-38(37-36-23)13-3-14-43-25-5-1-4-21(16-25)18-34-31(40)22-8-10-26(11-9-22)45(33,41)42/h1-2,4-11,16-17,19-20H,3,12-15,18,32H2,(H,34,40)(H2,33,41,42) | Definition date: | 2018-12-04 | Last modified: | 2019-12-20 | Release date: | 2019-12-25 | Identifier: | ~{N}-[[3-[3-[4-[2-(8-azanyl-2-methanoyl-quinolin-4-yl)oxyethyl]-1,2,3-triazol-1-yl]propoxy]phenyl]methyl]-4-sulfamoyl-benzamide |
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![M0M M0M](https://data.pdbj.org/pdbjplus/data/cc/svg/M0M.svg) | M0M | Name: | (8S)-1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,7,8,9-hexahydro-2H-purin-2-one | Formula: | C13 H21 N5 O2 S2 | SMILES: | C1COCCN1CCSC3NC2=C(C(N(C(=O)N2C)C)=S)N3 | InChi: | InChI=1S/C13H21N5O2S2/c1-16-10-9(11(21)17(2)13(16)19)14-12(15-10)22-8-5-18-3-6-20-7-4-18/h12,14-15H,3-8H2,1-2H3/t12-/m0/s1 | Definition date: | 2019-03-18 | Last modified: | 2019-12-20 | Release date: | 2019-12-25 | Identifier: | (8S)-1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,7,8,9-hexahydro-2H-purin-2-one |
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![M0P M0P](https://data.pdbj.org/pdbjplus/data/cc/svg/M0P.svg) | M0P | Name: | 1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione | Formula: | C13 H19 N5 O3 S | SMILES: | C1COCCN1CCSc3nc2c(C(N(C(N2C)=O)C)=O)n3 | InChi: | InChI=1S/C13H19N5O3S/c1-16-10-9(11(19)17(2)13(16)20)14-12(15-10)22-8-5-18-3-6-21-7-4-18/h3-8H2,1-2H3,(H,14,15) | Definition date: | 2019-03-18 | Last modified: | 2019-12-20 | Release date: | 2019-12-25 | Identifier: | 1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione |
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![M0V M0V](https://data.pdbj.org/pdbjplus/data/cc/svg/M0V.svg) | M0V | Name: | 7-[(2S)-2-hydroxy-3-(morpholin-4-yl)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione | Formula: | C14 H21 N5 O4 | SMILES: | O=C2N(C)C(=O)c3n(CC(O)CN1CCOCC1)cnc3N2C | InChi: | InChI=1S/C14H21N5O4/c1-16-12-11(13(21)17(2)14(16)22)19(9-15-12)8-10(20)7-18-3-5-23-6-4-18/h9-10,20H,3-8H2,1-2H3/t10-/m0/s1 | Definition date: | 2019-03-18 | Last modified: | 2019-12-20 | Release date: | 2019-12-25 | Identifier: | 7-[(2S)-2-hydroxy-3-(morpholin-4-yl)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
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![Q5V Q5V](https://data.pdbj.org/pdbjplus/data/cc/svg/Q5V.svg) | Q5V | Name: | N-[(4-methoxyphenyl)sulfonyl]-N-(4-{[(4-methoxyphenyl)sulfonyl](2,2,2-trifluoroethyl)amino}isoquinolin-1-yl)glycine | Formula: | C27 H24 F3 N3 O8 S2 | SMILES: | c1c(ccc(c1)OC)S(=O)(=O)N(CC(O)=O)c3ncc(N(S(=O)(c2ccc(OC)cc2)=O)CC(F)(F)F)c4c3cccc4 | InChi: | InChI=1S/C27H24F3N3O8S2/c1-40-18-7-11-20(12-8-18)42(36,37)32(16-25(34)35)26-23-6-4-3-5-22(23)24(15-31-26)33(17-27(28,29)30)43(38,39)21-13-9-19(41-2)10-14-21/h3-15H,16-17H2,1-2H3,(H,34,35) | Definition date: | 2019-09-24 | Last modified: | 2019-12-13 | Release date: | 2019-12-18 | Identifier: | N-[(4-methoxyphenyl)sulfonyl]-N-(4-{[(4-methoxyphenyl)sulfonyl](2,2,2-trifluoroethyl)amino}isoquinolin-1-yl)glycine |
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![L2Q L2Q](https://data.pdbj.org/pdbjplus/data/cc/svg/L2Q.svg) | L2Q | Name: | [(1~{R})-3-(3,4-dimethoxyphenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]propyl] (2~{S})-1-[[(1~{R},4~{a}~{R},8~{a}~{R})-4-oxidanylidene-2,3,4~{a},5,6,7,8,8~{a}-octahydro-1~{H}-naphthalen-1-yl]carbonyl]piperidine-2-carboxylate | Formula: | C40 H54 N2 O8 | SMILES: | COc1ccc(CC[CH](OC(=O)[CH]2CCCCN2C(=O)[CH]3CCC(=O)[CH]4CCCC[CH]34)c5cccc(OCCN6CCOCC6)c5)cc1OC | InChi: | InChI=1S/C40H54N2O8/c1-46-37-18-14-28(26-38(37)47-2)13-17-36(29-8-7-9-30(27-29)49-25-22-41-20-23-48-24-21-41)50-40(45)34-12-5-6-19-42(34)39(44)33-15-16-35(43)32-11-4-3-10-31(32)33/h7-9,14,18,26-27,31-34,36H,3-6,10-13,15-17,19-25H2,1-2H3/t31-,32-,33-,34+,36-/m1/s1 | Definition date: | 2019-07-16 | Last modified: | 2019-12-13 | Release date: | 2019-12-18 | Identifier: | [(1~{R})-3-(3,4-dimethoxyphenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]propyl] (2~{S})-1-[[(1~{R},4~{a}~{R},8~{a}~{R})-4-oxidanylidene-2,3,4~{a},5,6,7,8,8~{a}-octahydro-1~{H}-naphthalen-1-yl]carbonyl]piperidine-2-carboxylate |
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![H2Z H2Z](https://data.pdbj.org/pdbjplus/data/cc/svg/H2Z.svg) | H2Z | Name: | (2~{R})-2-methyl-2-methylsulfonyl-4-[6-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-~{N}-oxidanyl-butanamide | Formula: | C25 H30 N4 O6 S | SMILES: | C[C](CCN1Cc2cc(cn2C1=O)C#Cc3ccc(CN4CCOCC4)cc3)(C(=O)NO)[S](C)(=O)=O | InChi: | InChI=1S/C25H30N4O6S/c1-25(23(30)26-32,36(2,33)34)9-10-28-18-22-15-21(17-29(22)24(28)31)8-5-19-3-6-20(7-4-19)16-27-11-13-35-14-12-27/h3-4,6-7,15,17,32H,9-14,16,18H2,1-2H3,(H,26,30)/t25-/m1/s1 | Definition date: | 2018-11-09 | Last modified: | 2019-12-13 | Release date: | 2019-12-18 | Identifier: | (2~{R})-2-methyl-2-methylsulfonyl-4-[6-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-~{N}-oxidanyl-butanamide |
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![GK7 GK7](https://data.pdbj.org/pdbjplus/data/cc/svg/GK7.svg) | GK7 | Name: | methyl [(2S)-1-{[(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]amino}-3,3-dimethyl-1-oxobutan-2-yl]carbamate | Formula: | C40 H55 N7 O10 S | SMILES: | c6(OC1CC2C(=O)NC3(C(C=CCCCCCC(C(N2C1)=O)NC(=O)C(NC(OC)=O)C(C)(C)C)C3)C(NS(C4(CC4)C)(=O)=O)=O)nc5cc(OC)ccc5nc6C | InChi: | InChI=1S/C40H55N7O10S/c1-23-34(43-29-19-25(55-6)15-16-27(29)41-23)57-26-20-30-32(48)45-40(36(51)46-58(53,54)39(5)17-18-39)21-24(40)13-11-9-8-10-12-14-28(35(50)47(30)22-26)42-33(49)31(38(2,3)4)44-37(52)56-7/h11,13,15-16,19,24,26,28,30-31H,8-10,12,14,17-18,20-22H2,1-7H3,(H,42,49)(H,44,52)(H,45,48)(H,46,51)/b13-11-/t24-,26-,28+,30+,31-,40-/m1/s1 | Definition date: | 2018-05-24 | Last modified: | 2019-12-11 | Release date: | 2019-07-31 | Identifier: | methyl [(2S)-1-{[(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]amino}-3,3-dimethyl-1-oxobutan-2-yl]carbamate |
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![OJY OJY](https://data.pdbj.org/pdbjplus/data/cc/svg/OJY.svg) | OJY | Name: | 5-[5-(hydroxymethyl)-1H-imidazol-2-yl]-L-norvaline | Formula: | C9 H15 N3 O3 | SMILES: | C(c1nc(CO)cn1)CCC(C(=O)O)N | InChi: | InChI=1S/C9H15N3O3/c10-7(9(14)15)2-1-3-8-11-4-6(5-13)12-8/h4,7,13H,1-3,5,10H2,(H,11,12)(H,14,15)/t7-/m0/s1 | Definition date: | 2019-06-26 | Last modified: | 2019-12-06 | Release date: | 2019-12-11 | Identifier: | 5-[5-(hydroxymethyl)-1H-imidazol-2-yl]-L-norvaline |
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![OK4 OK4](https://data.pdbj.org/pdbjplus/data/cc/svg/OK4.svg) | OK4 | Name: | N-acetyl-L-alanyl-5-[5-(hydroxymethyl)-1H-imidazol-2-yl]-L-norvalyl-L-valinamide | Formula: | C19 H32 N6 O5 | SMILES: | C(=O)(C)NC(C)C(=O)NC(C(=O)NC(C(N)=O)C(C)C)CCCc1nc(CO)cn1 | InChi: | InChI=1S/C19H32N6O5/c1-10(2)16(17(20)28)25-19(30)14(24-18(29)11(3)22-12(4)27)6-5-7-15-21-8-13(9-26)23-15/h8,10-11,14,16,26H,5-7,9H2,1-4H3,(H2,20,28)(H,21,23)(H,22,27)(H,24,29)(H,25,30)/t11-,14-,16-/m0/s1 | Definition date: | 2019-06-26 | Last modified: | 2019-12-06 | Release date: | 2019-12-11 | Identifier: | N-acetyl-L-alanyl-5-[5-(hydroxymethyl)-1H-imidazol-2-yl]-L-norvalyl-L-valinamide |
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