![QN8 QN8](https://data.pdbj.org/pdbjplus/data/cc/svg/QN8.svg) | QN8 | Name: | (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one | Formula: | C8 H13 N O | SMILES: | C[CH]1N2CCC(CC2)C1=O | InChi: | InChI=1S/C8H13NO/c1-6-8(10)7-2-4-9(6)5-3-7/h6-7H,2-5H2,1H3/t6-/m1/s1 | Definition date: | 2020-07-08 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one |
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![VJN VJN](https://data.pdbj.org/pdbjplus/data/cc/svg/VJN.svg) | VJN | Name: | 8-propan-2-yloxy-4~{H}-thieno[2,3-c]isoquinolin-5-one | Formula: | C14 H13 N O2 S | SMILES: | CC(C)Oc1ccc2C(=O)Nc3sccc3c2c1 | InChi: | InChI=1S/C14H13NO2S/c1-8(2)17-9-3-4-10-12(7-9)11-5-6-18-14(11)15-13(10)16/h3-8H,1-2H3,(H,15,16) | Definition date: | 2021-05-20 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | 8-propan-2-yloxy-4~{H}-thieno[2,3-c]isoquinolin-5-one |
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![QNN QNN](https://data.pdbj.org/pdbjplus/data/cc/svg/QNN.svg) | QNN | Name: | (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one | Formula: | C8 H13 N O | SMILES: | C[CH]1N2CCC(CC2)C1=O | InChi: | InChI=1S/C8H13NO/c1-6-8(10)7-2-4-9(6)5-3-7/h6-7H,2-5H2,1H3/t6-/m0/s1 | Definition date: | 2020-07-08 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one |
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![QOV QOV](https://data.pdbj.org/pdbjplus/data/cc/svg/QOV.svg) | QOV | Name: | 5-chloro-2-methoxy-N-(2-methyl[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide | Formula: | C14 H13 Cl N4 O3 S | SMILES: | n12cccc(c1nc(n2)C)NS(c3c(OC)ccc(Cl)c3)(=O)=O | InChi: | InChI=1S/C14H13ClN4O3S/c1-9-16-14-11(4-3-7-19(14)17-9)18-23(20,21)13-8-10(15)5-6-12(13)22-2/h3-8,18H,1-2H3 | Definition date: | 2019-12-05 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | 5-chloro-2-methoxy-N-(2-methyl[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide |
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![SSQ SSQ](https://data.pdbj.org/pdbjplus/data/cc/svg/SSQ.svg) | SSQ | Name: | 6-((2-chlorophenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one | Formula: | C11 H7 Cl N4 O S | SMILES: | Clc1ccccc1SC2=NN3C(=O)NN=C3C=C2 | InChi: | InChI=1S/C11H7ClN4OS/c12-7-3-1-2-4-8(7)18-10-6-5-9-13-14-11(17)16(9)15-10/h1-6H,(H,14,17) | Synonyms: | 6-(2-chlorophenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one | Definition date: | 2020-11-30 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | 6-(2-chlorophenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one |
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![SSW SSW](https://data.pdbj.org/pdbjplus/data/cc/svg/SSW.svg) | SSW | Name: | 6-((3-(trifluoromethoxy)phenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one | Formula: | C12 H7 F3 N4 O2 S | SMILES: | FC(F)(F)Oc1cccc(SC2=NN3C(=O)NN=C3C=C2)c1 | InChi: | InChI=1S/C12H7F3N4O2S/c13-12(14,15)21-7-2-1-3-8(6-7)22-10-5-4-9-16-17-11(20)19(9)18-10/h1-6H,(H,17,20) | Synonyms: | 6-[3-(trifluoromethyloxy)phenyl]sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one | Definition date: | 2020-11-30 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | 6-[3-(trifluoromethyloxy)phenyl]sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one |
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![STK STK](https://data.pdbj.org/pdbjplus/data/cc/svg/STK.svg) | STK | Name: | 3-(3-chlorophenyl)sulfanyl-1$l^{4},2,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4,7-tetraen-9-one | Formula: | C11 H7 Cl N4 O S | SMILES: | Clc1cccc(SC2=NN3C(=O)NN=C3C=C2)c1 | InChi: | InChI=1S/C11H7ClN4OS/c12-7-2-1-3-8(6-7)18-10-5-4-9-13-14-11(17)16(9)15-10/h1-6H,(H,14,17) | Definition date: | 2020-12-01 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | 6-(3-chlorophenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one |
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![SUQ SUQ](https://data.pdbj.org/pdbjplus/data/cc/svg/SUQ.svg) | SUQ | Name: | 6-((4-chlorophenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one | Formula: | C11 H7 Cl N4 O S | SMILES: | Clc1ccc(SC2=NN3C(=O)NN=C3C=C2)cc1 | InChi: | InChI=1S/C11H7ClN4OS/c12-7-1-3-8(4-2-7)18-10-6-5-9-13-14-11(17)16(9)15-10/h1-6H,(H,14,17) | Synonyms: | 6-(4-chlorophenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one | Definition date: | 2020-12-01 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | 6-(4-chlorophenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one |
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![SUT SUT](https://data.pdbj.org/pdbjplus/data/cc/svg/SUT.svg) | SUT | Name: | 6-(m-tolylthio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one | Formula: | C12 H10 N4 O S | SMILES: | Cc1cccc(SC2=NN3C(=O)NN=C3C=C2)c1 | InChi: | InChI=1S/C12H10N4OS/c1-8-3-2-4-9(7-8)18-11-6-5-10-13-14-12(17)16(10)15-11/h2-7H,1H3,(H,14,17) | Synonyms: | 6-(3-methylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one | Definition date: | 2020-12-01 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | 6-(3-methylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one |
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![X8V X8V](https://data.pdbj.org/pdbjplus/data/cc/svg/X8V.svg) | X8V | Name: | 2-[5-(4-carbamimidoylphenyl)thiophen-2-yl]-1H-indole-6-carboximidamide | Formula: | C20 H17 N5 S | SMILES: | [N@H]=C(c1ccc(cc1)c2sc(cc2)c3nc4c(c3)ccc(/C(N)=N)c4)N | InChi: | InChI=1S/C20H17N5S/c21-19(22)12-3-1-11(2-4-12)17-7-8-18(26-17)16-9-13-5-6-14(20(23)24)10-15(13)25-16/h1-10,25H,(H3,21,22)(H3,23,24) | Definition date: | 2020-12-04 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | 2-[5-(4-carbamimidoylphenyl)thiophen-2-yl]-1H-indole-6-carboximidamide |
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![VGW VGW](https://data.pdbj.org/pdbjplus/data/cc/svg/VGW.svg) | VGW | Name: | 2-chloranyl-4-[[4-[2-(5-cyclopropylpyrimidin-2-yl)propan-2-ylamino]-1-methyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile | Formula: | C26 H24 Cl N7 O | SMILES: | CN1C(=O)C=C(NC(C)(C)c2ncc(cn2)C3CC3)c4cc(Nc5ccnc(Cl)c5C#N)ccc14 | InChi: | InChI=1S/C26H24ClN7O/c1-26(2,25-30-13-16(14-31-25)15-4-5-15)33-21-11-23(35)34(3)22-7-6-17(10-18(21)22)32-20-8-9-29-24(27)19(20)12-28/h6-11,13-15,33H,4-5H2,1-3H3,(H,29,32) | Definition date: | 2021-05-18 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | 2-chloranyl-4-[[4-[2-(5-cyclopropylpyrimidin-2-yl)propan-2-ylamino]-1-methyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile |
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![VHN VHN](https://data.pdbj.org/pdbjplus/data/cc/svg/VHN.svg) | VHN | Name: | (2S)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-propanamide | Formula: | C19 H17 Cl N6 O2 | SMILES: | CNC(=O)[CH](C)NC1=CC(=O)Nc2ccc(Nc3ccnc(Cl)c3C#N)cc12 | InChi: | InChI=1S/C19H17ClN6O2/c1-10(19(28)22-2)24-16-8-17(27)26-14-4-3-11(7-12(14)16)25-15-5-6-23-18(20)13(15)9-21/h3-8,10H,1-2H3,(H,22,28)(H,23,25)(H2,24,26,27)/t10-/m0/s1 | Synonyms: | (2S)-2-[[6-[(2-Chloro-3-cyanopyridin-4-yl)amino]-2-oxo-1H-quinolin-4-yl]amino]-N-methylpropanamide | Definition date: | 2021-05-18 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | (2~{S})-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1~{H}-quinolin-4-yl]amino]-~{N}-methyl-propanamide |
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![VHQ VHQ](https://data.pdbj.org/pdbjplus/data/cc/svg/VHQ.svg) | VHQ | Name: | 2-chloranyl-4-[(1-methyl-2-oxidanylidene-quinolin-6-yl)amino]pyridine-3-carbonitrile | Formula: | C16 H11 Cl N4 O | SMILES: | CN1C(=O)C=Cc2cc(Nc3ccnc(Cl)c3C#N)ccc12 | InChi: | InChI=1S/C16H11ClN4O/c1-21-14-4-3-11(8-10(14)2-5-15(21)22)20-13-6-7-19-16(17)12(13)9-18/h2-8H,1H3,(H,19,20) | Definition date: | 2021-05-18 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | 2-chloranyl-4-[(1-methyl-2-oxidanylidene-quinolin-6-yl)amino]pyridine-3-carbonitrile |
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![PO9 PO9](https://data.pdbj.org/pdbjplus/data/cc/svg/PO9.svg) | PO9 | Name: | [(2R)-2-hexadecanoyloxy-3-[oxidanyl-[(2S)-2-oxidanyl-3-phosphonooxy-propoxy]phosphoryl]oxy-propyl] (Z)-octadec-9-enoate | Formula: | C40 H78 O13 P2 | SMILES: | CCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCC=CCCCCCCCC)CO[P](O)(=O)OC[CH](O)CO[P](O)(O)=O | InChi: | InChI=1S/C40H78O13P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(42)49-35-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)53-40(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,37-38,41H,3-16,19-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b18-17-/t37-,38+/m0/s1 | Definition date: | 2021-01-07 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | [(2~{R})-2-hexadecanoyloxy-3-[oxidanyl-[(2~{S})-2-oxidanyl-3-phosphonooxy-propoxy]phosphoryl]oxy-propyl] (~{Z})-octadec-9-enoate |
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![5IJ 5IJ](https://data.pdbj.org/pdbjplus/data/cc/svg/5IJ.svg) | 5IJ | Name: | (1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl acetate | Formula: | C30 H39 Cl N2 O9 | SMILES: | CC(=O)OC1CC(=O)N(C)c2cc(CC(C)=CC=CC(OC)C3(O)CC(OC(=O)N3)C(C)C3OC13C)cc(OC)c2Cl | InChi: | InChI=1S/C30H39ClN2O9/c1-16-9-8-10-23(39-7)30(37)15-22(41-28(36)32-30)17(2)27-29(4,42-27)24(40-18(3)34)14-25(35)33(5)20-12-19(11-16)13-21(38-6)26(20)31/h8-10,12-13,17,22-24,27,37H,11,14-15H2,1-7H3,(H,32,36)/b10-8+,16-9+/t17-,22+,23-,24+,27+,29+,30+/m1/s1 | Definition date: | 2021-07-20 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | (1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl acetate |
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![5IS 5IS](https://data.pdbj.org/pdbjplus/data/cc/svg/5IS.svg) | 5IS | Name: | (1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-6-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaene-8,23-dione | Formula: | C28 H35 Cl N2 O7 | SMILES: | CC1C2CC(=NC(=O)O2)C(OC)C=CC=C(C)Cc2cc(c(Cl)c(OC)c2)N(C)C(=O)CC(O)C2(C)OC12 | InChi: | InChI=1S/C28H35ClN2O7/c1-15-8-7-9-20(35-5)18-13-21(37-27(34)30-18)16(2)26-28(3,38-26)23(32)14-24(33)31(4)19-11-17(10-15)12-22(36-6)25(19)29/h7-9,11-12,16,20-21,23,26,32H,10,13-14H2,1-6H3/b9-7+,15-8+/t16-,20-,21+,23+,26+,28+/m1/s1 | Definition date: | 2021-07-20 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | (1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-6-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaene-8,23-dione |
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![5IX 5IX](https://data.pdbj.org/pdbjplus/data/cc/svg/5IX.svg) | 5IX | Name: | (1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl phenylacetate | Formula: | C36 H43 Cl N2 O9 | SMILES: | CC1C2CC(O)(NC(=O)O2)C(OC)C=CC=C(C)Cc2cc(c(Cl)c(OC)c2)N(C)C(=O)CC(OC(=O)Cc2ccccc2)C2(C)OC12 | InChi: | InChI=1S/C36H43ClN2O9/c1-21-11-10-14-28(45-6)36(43)20-27(46-34(42)38-36)22(2)33-35(3,48-33)29(47-31(41)18-23-12-8-7-9-13-23)19-30(40)39(4)25-16-24(15-21)17-26(44-5)32(25)37/h7-14,16-17,22,27-29,33,43H,15,18-20H2,1-6H3,(H,38,42)/b14-10+,21-11+/t22-,27+,28-,29+,33+,35+,36+/m1/s1 | Definition date: | 2021-07-20 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | (1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl phenylacetate |
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![5JH 5JH](https://data.pdbj.org/pdbjplus/data/cc/svg/5JH.svg) | 5JH | Name: | (1R,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl heptanoate | Formula: | C35 H49 Cl N2 O9 | SMILES: | CCCCCCC(=O)OC1CC(=O)N(C)c2cc(CC(C)=CC=CC(OC)C3(O)CC(OC(=O)N3)C(C)C3OC13C)cc(OC)c2Cl | InChi: | InChI=1S/C35H49ClN2O9/c1-8-9-10-11-15-30(40)46-28-19-29(39)38(5)24-17-23(18-25(43-6)31(24)36)16-21(2)13-12-14-27(44-7)35(42)20-26(45-33(41)37-35)22(3)32-34(28,4)47-32/h12-14,17-18,22,26-28,32,42H,8-11,15-16,19-20H2,1-7H3,(H,37,41)/b14-12+,21-13+/t22-,26-,27-,28+,32+,34+,35+/m1/s1 | Definition date: | 2021-07-20 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | (1R,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl heptanoate |
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![5JS 5JS](https://data.pdbj.org/pdbjplus/data/cc/svg/5JS.svg) | 5JS | Name: | (1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaen-6-yl phenylacetate | Formula: | C36 H41 Cl N2 O8 | SMILES: | CC1C2CC(=NC(=O)O2)C(OC)C=CC=C(C)Cc2cc(c(Cl)c(OC)c2)N(C)C(=O)CC(OC(=O)Cc2ccccc2)C2(C)OC12 | InChi: | InChI=1S/C36H41ClN2O8/c1-21-11-10-14-27(43-5)25-19-28(45-35(42)38-25)22(2)34-36(3,47-34)30(46-32(41)18-23-12-8-7-9-13-23)20-31(40)39(4)26-16-24(15-21)17-29(44-6)33(26)37/h7-14,16-17,22,27-28,30,34H,15,18-20H2,1-6H3/b14-10+,21-11+/t22-,27-,28+,30+,34+,36+/m1/s1 | Definition date: | 2021-07-20 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | (1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaen-6-yl phenylacetate |
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![0Q6 0Q6](https://data.pdbj.org/pdbjplus/data/cc/svg/0Q6.svg) | 0Q6 | Name: | 4-[(3-bromophenyl)methoxy]benzamide | Formula: | C14 H12 Br N O2 | SMILES: | NC(=O)c1ccc(OCc2cccc(Br)c2)cc1 | InChi: | InChI=1S/C14H12BrNO2/c15-12-3-1-2-10(8-12)9-18-13-6-4-11(5-7-13)14(16)17/h1-8H,9H2,(H2,16,17) | Definition date: | 2021-06-09 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | 4-[(3-bromophenyl)methoxy]benzamide |
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![0SI 0SI](https://data.pdbj.org/pdbjplus/data/cc/svg/0SI.svg) | 0SI | Name: | 8-phenylmethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one | Formula: | C18 H13 N O2 S | SMILES: | O=C1Nc2sccc2c3cc(OCc4ccccc4)ccc13 | InChi: | InChI=1S/C18H13NO2S/c20-17-14-7-6-13(21-11-12-4-2-1-3-5-12)10-16(14)15-8-9-22-18(15)19-17/h1-10H,11H2,(H,19,20) | Definition date: | 2021-06-09 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | 8-phenylmethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one |
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![0UI 0UI](https://data.pdbj.org/pdbjplus/data/cc/svg/0UI.svg) | 0UI | Name: | 8-oxidanyl-4~{H}-thieno[2,3-c]isoquinolin-5-one | Formula: | C11 H7 N O2 S | SMILES: | Oc1ccc2C(=O)Nc3sccc3c2c1 | InChi: | InChI=1S/C11H7NO2S/c13-6-1-2-7-9(5-6)8-3-4-15-11(8)12-10(7)14/h1-5,13H,(H,12,14) | Definition date: | 2021-06-09 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | 8-oxidanyl-4~{H}-thieno[2,3-c]isoquinolin-5-one |
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![1O7 1O7](https://data.pdbj.org/pdbjplus/data/cc/svg/1O7.svg) | 1O7 | Name: | 8-ethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one | Formula: | C13 H11 N O2 S | SMILES: | CCOc1ccc2C(=O)Nc3sccc3c2c1 | InChi: | InChI=1S/C13H11NO2S/c1-2-16-8-3-4-9-11(7-8)10-5-6-17-13(10)14-12(9)15/h3-7H,2H2,1H3,(H,14,15) | Definition date: | 2021-06-14 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | 8-ethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one |
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![1OI 1OI](https://data.pdbj.org/pdbjplus/data/cc/svg/1OI.svg) | 1OI | Name: | 8-methoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one | Formula: | C12 H9 N O2 S | SMILES: | COc1ccc2C(=O)Nc3sccc3c2c1 | InChi: | InChI=1S/C12H9NO2S/c1-15-7-2-3-8-10(6-7)9-4-5-16-12(9)13-11(8)14/h2-6H,1H3,(H,13,14) | Definition date: | 2021-06-14 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | 8-methoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one |
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![1H9 1H9](https://data.pdbj.org/pdbjplus/data/cc/svg/1H9.svg) | 1H9 | Name: | 8-[(3-bromophenyl)methoxy]-4~{H}-thieno[2,3-c]isoquinolin-5-one | Formula: | C18 H12 Br N O2 S | SMILES: | Brc1cccc(COc2ccc3C(=O)Nc4sccc4c3c2)c1 | InChi: | InChI=1S/C18H12BrNO2S/c19-12-3-1-2-11(8-12)10-22-13-4-5-14-16(9-13)15-6-7-23-18(15)20-17(14)21/h1-9H,10H2,(H,20,21) | Definition date: | 2021-06-10 | Last modified: | 2021-12-03 | Release date: | 2021-12-08 | Identifier: | 8-[(3-bromophenyl)methoxy]-4~{H}-thieno[2,3-c]isoquinolin-5-one |
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