![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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![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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![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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![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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![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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![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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![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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![L3D L3D](https://data.pdbj.org/pdbjplus/data/cc/svg/L3D.svg) | L3D | Name: | (2S)-tert-butoxy[4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methylquinolin-3-yl]acetic acid | Formula: | C27 H26 N2 O4 | SMILES: | Cc4c(C(C(=O)O)OC(C)(C)C)c(c1c3c2c(cc1)OCCc2ccn3)c5c(n4)cccc5 | InChi: | InChI=1S/C27H26N2O4/c1-15-21(25(26(30)31)33-27(2,3)4)23(17-7-5-6-8-19(17)29-15)18-9-10-20-22-16(12-14-32-20)11-13-28-24(18)22/h5-11,13,25H,12,14H2,1-4H3,(H,30,31)/t25-/m0/s1 | Definition date: | 2019-02-04 | Last modified: | 2019-12-06 | Release date: | 2019-12-11 | Identifier: | (2S)-tert-butoxy[4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methylquinolin-3-yl]acetic acid |
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![LWQ LWQ](https://data.pdbj.org/pdbjplus/data/cc/svg/LWQ.svg) | LWQ | Name: | ~{N}2,~{N}6-bis(1-methylquinolin-1-ium-3-yl)pyridine-2,6-dicarboxamide | Formula: | C27 H23 N5 O2 | SMILES: | C[n+]1cc(NC(=O)c2cccc(n2)C(=O)Nc3cc4ccccc4[n+](C)c3)cc5ccccc15 | InChi: | InChI=1S/C27H21N5O2/c1-31-16-20(14-18-8-3-5-12-24(18)31)28-26(33)22-10-7-11-23(30-22)27(34)29-21-15-19-9-4-6-13-25(19)32(2)17-21/h3-17H,1-2H3/p+2 | Definition date: | 2019-09-24 | Last modified: | 2019-12-06 | Release date: | 2019-12-11 | Identifier: | ~{N}2,~{N}6-bis(1-methylquinolin-1-ium-3-yl)pyridine-2,6-dicarboxamide |
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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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![E33 E33](https://data.pdbj.org/pdbjplus/data/cc/svg/E33.svg) | E33 | Name: | (8~{a}~{R},12~{a}~{S},13~{a}~{R})-12-ethylsulfonyl-3-methoxy-5,6,8,8~{a},9,10,11,12~{a},13,13~{a}-decahydroisoquinolino[2,1-g][1,6]naphthyridine | Formula: | C19 H28 N2 O3 S | SMILES: | CC[S](=O)(=O)N1CCC[CH]2CN3CCc4cc(OC)ccc4[CH]3C[CH]12 | InChi: | InChI=1S/C19H28N2O3S/c1-3-25(22,23)21-9-4-5-15-13-20-10-8-14-11-16(24-2)6-7-17(14)19(20)12-18(15)21/h6-7,11,15,18-19H,3-5,8-10,12-13H2,1-2H3/t15-,18+,19-/m1/s1 | Definition date: | 2019-10-03 | Last modified: | 2019-11-29 | Release date: | 2019-12-04 | Identifier: | (8~{a}~{R},12~{a}~{S},13~{a}~{R})-12-ethylsulfonyl-3-methoxy-5,6,8,8~{a},9,10,11,12~{a},13,13~{a}-decahydroisoquinolino[2,1-g][1,6]naphthyridine |
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![E3F E3F](https://data.pdbj.org/pdbjplus/data/cc/svg/E3F.svg) | E3F | Name: | (8~{a}~{R},12~{a}~{S},13~{a}~{S})-12-ethylsulfonyl-3-methoxy-5,6,8,8~{a},9,10,11,12~{a},13,13~{a}-decahydroisoquinolino[2,1-g][1,6]naphthyridine | Formula: | C19 H28 N2 O3 S | SMILES: | CC[S](=O)(=O)N1CCC[CH]2CN3CCc4cc(OC)ccc4[CH]3C[CH]12 | InChi: | InChI=1S/C19H28N2O3S/c1-3-25(22,23)21-9-4-5-15-13-20-10-8-14-11-16(24-2)6-7-17(14)19(20)12-18(15)21/h6-7,11,15,18-19H,3-5,8-10,12-13H2,1-2H3/t15-,18+,19+/m1/s1 | Definition date: | 2019-10-03 | Last modified: | 2019-11-29 | Release date: | 2019-12-04 | Identifier: | (8~{a}~{R},12~{a}~{S},13~{a}~{S})-12-ethylsulfonyl-3-methoxy-5,6,8,8~{a},9,10,11,12~{a},13,13~{a}-decahydroisoquinolino[2,1-g][1,6]naphthyridine |
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![KE8 KE8](https://data.pdbj.org/pdbjplus/data/cc/svg/KE8.svg) | KE8 | Name: | 6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one | Formula: | C22 H27 N7 O2 S | SMILES: | Cn1nccc1Nc2nccc(n2)c3sc4c(c3)C(=O)N(CCN5CCOCC5)C4(C)C | InChi: | InChI=1S/C22H27N7O2S/c1-22(2)19-15(20(30)29(22)9-8-28-10-12-31-13-11-28)14-17(32-19)16-4-6-23-21(25-16)26-18-5-7-24-27(18)3/h4-7,14H,8-13H2,1-3H3,(H,23,25,26) | Definition date: | 2019-05-15 | Last modified: | 2019-11-29 | Release date: | 2019-12-04 | Identifier: | 6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one |
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![Q1S Q1S](https://data.pdbj.org/pdbjplus/data/cc/svg/Q1S.svg) | Q1S | Name: | N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]isoquinolin-1-amine | Formula: | C20 H21 N5 O2 | SMILES: | c4(Nc1cc([N+]([O-])=O)ccc1N2CCN(CC2)C)c3ccccc3ccn4 | InChi: | InChI=1S/C20H21N5O2/c1-23-10-12-24(13-11-23)19-7-6-16(25(26)27)14-18(19)22-20-17-5-3-2-4-15(17)8-9-21-20/h2-9,14H,10-13H2,1H3,(H,21,22) | Definition date: | 2019-09-06 | Last modified: | 2019-11-29 | Release date: | 2019-12-04 | Identifier: | N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]isoquinolin-1-amine |
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![KVB KVB](https://data.pdbj.org/pdbjplus/data/cc/svg/KVB.svg) | KVB | Name: | 2-[4-[[3-[3-(phenylmethyl)-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]ethanoic acid | Formula: | C32 H24 F3 N O3 | SMILES: | OC(=O)Cc1ccc(COc2cccc(c2)c3c(Cc4ccccc4)cnc5c3cccc5C(F)(F)F)cc1 | InChi: | InChI=1S/C32H24F3NO3/c33-32(34,35)28-11-5-10-27-30(25(19-36-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)39-20-23-14-12-22(13-15-23)17-29(37)38/h1-15,18-19H,16-17,20H2,(H,37,38) | Definition date: | 2019-06-29 | Last modified: | 2019-11-22 | Release date: | 2019-11-27 | Identifier: | 2-[4-[[3-[3-(phenylmethyl)-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]ethanoic acid |
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![L6B L6B](https://data.pdbj.org/pdbjplus/data/cc/svg/L6B.svg) | L6B | Name: | methyl 4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-3-enoate | Formula: | C15 H18 N2 O4 | SMILES: | COC(=O)CC=CNC(=O)C1=CC2=C(CCCC2)NC1=O | InChi: | InChI=1S/C15H18N2O4/c1-21-13(18)7-4-8-16-14(19)11-9-10-5-2-3-6-12(10)17-15(11)20/h4,8-9H,2-3,5-7H2,1H3,(H,16,19)(H,17,20)/b8-4+ | Definition date: | 2019-07-23 | Last modified: | 2019-11-22 | Release date: | 2019-11-27 | Identifier: | methyl 4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-3-enoate |
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![L6E L6E](https://data.pdbj.org/pdbjplus/data/cc/svg/L6E.svg) | L6E | Name: | [2-(methylamino)-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate | Formula: | C17 H21 N3 O5 | SMILES: | CNC(=O)COC(=O)C=CCNC(=O)C1=CC2=C(CCCC2)NC1=O | InChi: | InChI=1S/C17H21N3O5/c1-18-14(21)10-25-15(22)7-4-8-19-16(23)12-9-11-5-2-3-6-13(11)20-17(12)24/h4,7,9H,2-3,5-6,8,10H2,1H3,(H,18,21)(H,19,23)(H,20,24)/b7-4+ | Definition date: | 2019-07-23 | Last modified: | 2019-11-22 | Release date: | 2019-11-27 | Identifier: | [2-(methylamino)-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate |
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![L6H L6H](https://data.pdbj.org/pdbjplus/data/cc/svg/L6H.svg) | L6H | Name: | [2-[3-(cyclooct-4-en-1-yloxycarbonylamino)propylamino]-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate | Formula: | C28 H38 N4 O7 | SMILES: | O=C(COC(=O)C=CCNC(=O)C1=CC2=C(CCCC2)NC1=O)NCCCNC(=O)O[CH]3CCCC=CCC3 | InChi: | InChI=1S/C28H38N4O7/c33-24(29-16-9-17-31-28(37)39-21-11-4-2-1-3-5-12-21)19-38-25(34)14-8-15-30-26(35)22-18-20-10-6-7-13-23(20)32-27(22)36/h1-2,8,14,18,21H,3-7,9-13,15-17,19H2,(H,29,33)(H,30,35)(H,31,37)(H,32,36)/b2-1?,14-8+/t21-/m1/s1 | Definition date: | 2019-07-23 | Last modified: | 2019-11-22 | Release date: | 2019-11-27 | Identifier: | [2-[3-(cyclooct-4-en-1-yloxycarbonylamino)propylamino]-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate |
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