![D6U D6U](https://data.pdbj.org/pdbjplus/data/cc/svg/D6U.svg) | D6U | Name: | 16-methoxy-11-methyl-6-[(pyridin-2-yl)methoxy]-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one | Formula: | C23 H18 N2 O4 | SMILES: | COc1ccc2C(=O)N(C)C3=Cc4cc(OCc5ccccn5)ccc4Oc1c23 | InChi: | InChI=1S/C23H18N2O4/c1-25-18-12-14-11-16(28-13-15-5-3-4-10-24-15)6-8-19(14)29-22-20(27-2)9-7-17(21(18)22)23(25)26/h3-12H,13H2,1-2H3 | Definition date: | 2019-07-12 | Last modified: | 2020-07-03 | Release date: | 2020-07-08 |
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![D7F D7F](https://data.pdbj.org/pdbjplus/data/cc/svg/D7F.svg) | D7F | Name: | 6-[2-(diethylamino)ethoxy]-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one | Formula: | C23 H26 N2 O4 | SMILES: | CCN(CC)CCOc1ccc2Oc3c(OC)ccc4C(=O)N(C)C(=Cc2c1)c34 | InChi: | InChI=1S/C23H26N2O4/c1-5-25(6-2)11-12-28-16-7-9-19-15(13-16)14-18-21-17(23(26)24(18)3)8-10-20(27-4)22(21)29-19/h7-10,13-14H,5-6,11-12H2,1-4H3 | Definition date: | 2019-07-12 | Last modified: | 2020-07-03 | Release date: | 2020-07-08 |
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![D7L D7L](https://data.pdbj.org/pdbjplus/data/cc/svg/D7L.svg) | D7L | Name: | 6-hydroxy-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one | Formula: | C17 H13 N O4 | SMILES: | COc1ccc2C(=O)N(C)C3=Cc4cc(O)ccc4Oc1c23 | InChi: | InChI=1S/C17H13NO4/c1-18-12-8-9-7-10(19)3-5-13(9)22-16-14(21-2)6-4-11(15(12)16)17(18)20/h3-8,19H,1-2H3 | Definition date: | 2019-07-12 | Last modified: | 2020-07-03 | Release date: | 2020-07-08 |
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![D7R D7R](https://data.pdbj.org/pdbjplus/data/cc/svg/D7R.svg) | D7R | Name: | 6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one | Formula: | C20 H16 F2 N4 O4 S | SMILES: | Cc1cc(n2C=NNC(=O)c12)c3cc(C[S](C)(=O)=O)cnc3Oc4ccc(F)cc4F | InChi: | InChI=1S/C20H16F2N4O4S/c1-11-5-16(26-10-24-25-19(27)18(11)26)14-6-12(9-31(2,28)29)8-23-20(14)30-17-4-3-13(21)7-15(17)22/h3-8,10H,9H2,1-2H3,(H,25,27) | Definition date: | 2019-07-12 | Last modified: | 2020-07-03 | Release date: | 2020-07-08 | Identifier: | 6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2~{H}-pyrrolo[1,2-d][1,2,4]triazin-1-one |
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![D7U D7U](https://data.pdbj.org/pdbjplus/data/cc/svg/D7U.svg) | D7U | Name: | 6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one | Formula: | C21 H17 F2 N3 O4 S | SMILES: | Cc1cc(n2C=CNC(=O)c12)c3cc(C[S](C)(=O)=O)cnc3Oc4ccc(F)cc4F | InChi: | InChI=1S/C21H17F2N3O4S/c1-12-7-17(26-6-5-24-20(27)19(12)26)15-8-13(11-31(2,28)29)10-25-21(15)30-18-4-3-14(22)9-16(18)23/h3-10H,11H2,1-2H3,(H,24,27) | Definition date: | 2019-07-12 | Last modified: | 2020-07-03 | Release date: | 2020-07-08 | Identifier: | 6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2~{H}-pyrrolo[1,2-a]pyrazin-1-one |
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![D7X D7X](https://data.pdbj.org/pdbjplus/data/cc/svg/D7X.svg) | D7X | Name: | N-[3-(8-methyl-1-oxidanylidene-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxy-phenyl]methanesulfonamide | Formula: | C21 H19 N3 O4 S | SMILES: | Cc1cc(n2C=CNC(=O)c12)c3cc(N[S](C)(=O)=O)ccc3Oc4ccccc4 | InChi: | InChI=1S/C21H19N3O4S/c1-14-12-18(24-11-10-22-21(25)20(14)24)17-13-15(23-29(2,26)27)8-9-19(17)28-16-6-4-3-5-7-16/h3-13,23H,1-2H3,(H,22,25) | Definition date: | 2019-07-16 | Last modified: | 2020-07-03 | Release date: | 2020-07-08 | Identifier: | ~{N}-[3-(8-methyl-1-oxidanylidene-2~{H}-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxy-phenyl]methanesulfonamide |
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![D89 D89](https://data.pdbj.org/pdbjplus/data/cc/svg/D89.svg) | D89 | Name: | 6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(ethylsulfonylmethyl)pyridin-3-yl]-8-methyl-4H-pyrrolo[1,2-a]pyrazin-1-one | Formula: | C22 H19 F2 N3 O4 S | SMILES: | CC[S](=O)(=O)Cc1cnc(Oc2ccc(F)cc2F)c(c1)c3cc(C)c4n3CC=NC4=O | InChi: | InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)12-14-9-16(18-8-13(2)20-21(28)25-6-7-27(18)20)22(26-11-14)31-19-5-4-15(23)10-17(19)24/h4-6,8-11H,3,7,12H2,1-2H3 | Definition date: | 2019-07-16 | Last modified: | 2020-07-03 | Release date: | 2020-07-08 | Identifier: | 6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(ethylsulfonylmethyl)pyridin-3-yl]-8-methyl-4~{H}-pyrrolo[1,2-a]pyrazin-1-one |
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![D8F D8F](https://data.pdbj.org/pdbjplus/data/cc/svg/D8F.svg) | D8F | Name: | (4-nitrophenyl) hexanoate | Formula: | C12 H15 N O4 | SMILES: | CCCCCC(=O)Oc1ccc(cc1)[N+]([O-])=O | InChi: | InChI=1S/C12H15NO4/c1-2-3-4-5-12(14)17-11-8-6-10(7-9-11)13(15)16/h6-9H,2-5H2,1H3 | Definition date: | 2019-07-17 | Last modified: | 2020-07-03 | Release date: | 2020-07-08 | Identifier: | (4-nitrophenyl) hexanoate |
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![D9C D9C](https://data.pdbj.org/pdbjplus/data/cc/svg/D9C.svg) | D9C | Name: | 4-ethoxy-5,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one | Formula: | C20 H19 N O5 | SMILES: | CCOc1c(OC)ccc2C=C3N(C)C(=O)c4ccc(OC)c(Oc12)c34 | InChi: | InChI=1S/C20H19NO5/c1-5-25-19-15(24-4)8-6-11-10-13-16-12(20(22)21(13)2)7-9-14(23-3)18(16)26-17(11)19/h6-10H,5H2,1-4H3 | Definition date: | 2019-07-24 | Last modified: | 2020-07-03 | Release date: | 2020-07-08 |
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![EXR EXR](https://data.pdbj.org/pdbjplus/data/cc/svg/EXR.svg) | EXR | Name: | (2R)-2-azanyl-3-(1-benzothiophen-3-yl)propanoic acid | Formula: | C11 H11 N O2 S | SMILES: | N[CH](Cc1csc2ccccc12)C(O)=O | InChi: | InChI=1S/C11H11NO2S/c12-9(11(13)14)5-7-6-15-10-4-2-1-3-8(7)10/h1-4,6,9H,5,12H2,(H,13,14)/t9-/m1/s1 | Synonyms: | 3-(3-Benzothienyl)-D-alanine | Definition date: | 2020-02-17 | Last modified: | 2020-07-03 | Release date: | 2020-07-08 | Identifier: | (2~{R})-2-azanyl-3-(1-benzothiophen-3-yl)propanoic acid |
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![MU2 MU2](https://data.pdbj.org/pdbjplus/data/cc/svg/MU2.svg) | MU2 | Name: | N-ACETYLMURAMYL-L-ALANYL-D-ISOGLUTAMINE | Formula: | C19 H32 N4 O11 | SMILES: | O=C(O)C(NC(=O)C(NC(=O)C(OC1C(O)C(OC(O)C1NC(=O)C)CO)C)C)CCC(=O)N | InChi: | InChI=1S/C19H32N4O11/c1-7(16(28)23-10(18(30)31)4-5-12(20)26)21-17(29)8(2)33-15-13(22-9(3)25)19(32)34-11(6-24)14(15)27/h7-8,10-11,13-15,19,24,27,32H,4-6H2,1-3H3,(H2,20,26)(H,21,29)(H,22,25)(H,23,28)(H,30,31)/t7-,8+,10+,11+,13+,14+,15+,19-/m0/s1 | Definition date: | 2006-07-11 | Last modified: | 2020-07-03 | Identifier: | (2R)-2-{[(2S)-2-{[(2R)-2-{[(2S,3R,4R,5S,6R)-3-(acetylamino)-2,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoyl]amino}-5-amino-5-oxopentanoic acid (non-preferred name) |
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![MU8 MU8](https://data.pdbj.org/pdbjplus/data/cc/svg/MU8.svg) | MU8 | Name: | (2~{S},4~{R})-1-[[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-6-yl]carbonyl]-~{N}-(3-chlorophenyl)-4-phenyl-pyrrolidine-2-carboxamide | Formula: | C26 H24 Cl N3 O3 | SMILES: | N[CH]1COc2cc(ccc12)C(=O)N3C[CH](C[CH]3C(=O)Nc4cccc(Cl)c4)c5ccccc5 | InChi: | InChI=1S/C26H24ClN3O3/c27-19-7-4-8-20(13-19)29-25(31)23-11-18(16-5-2-1-3-6-16)14-30(23)26(32)17-9-10-21-22(28)15-33-24(21)12-17/h1-10,12-13,18,22-23H,11,14-15,28H2,(H,29,31)/t18-,22+,23-/m0/s1 | Definition date: | 2019-10-23 | Last modified: | 2020-07-03 | Release date: | 2020-07-08 | Identifier: | (2~{S},4~{R})-1-[[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-6-yl]carbonyl]-~{N}-(3-chlorophenyl)-4-phenyl-pyrrolidine-2-carboxamide |
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![N4N N4N](https://data.pdbj.org/pdbjplus/data/cc/svg/N4N.svg) | N4N | Name: | 3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid | Formula: | C15 H11 N3 O2 S | SMILES: | OC(=O)c1cccc(Nc2scc(n2)c3ccccn3)c1 | InChi: | InChI=1S/C15H11N3O2S/c19-14(20)10-4-3-5-11(8-10)17-15-18-13(9-21-15)12-6-1-2-7-16-12/h1-9H,(H,17,18)(H,19,20) | Definition date: | 2019-11-11 | Last modified: | 2020-07-03 | Release date: | 2020-07-08 | Identifier: | 3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid |
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![N5Q N5Q](https://data.pdbj.org/pdbjplus/data/cc/svg/N5Q.svg) | N5Q | Name: | 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxidanyl-benzoic acid | Formula: | C20 H14 N2 O3 S | SMILES: | OC(=O)c1ccc(Nc2scc(n2)c3ccc4ccccc4c3)cc1O | InChi: | InChI=1S/C20H14N2O3S/c23-18-10-15(7-8-16(18)19(24)25)21-20-22-17(11-26-20)14-6-5-12-3-1-2-4-13(12)9-14/h1-11,23H,(H,21,22)(H,24,25) | Definition date: | 2019-11-12 | Last modified: | 2020-07-03 | Release date: | 2020-07-08 | Identifier: | 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxidanyl-benzoic acid |
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![N8K N8K](https://data.pdbj.org/pdbjplus/data/cc/svg/N8K.svg) | N8K | Name: | ~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide | Formula: | C25 H23 F N6 O2 | SMILES: | CCOc1ccc(nc1)c2nnc([CH]3C[CH](C3)NC(=O)c4ccccn4)n2c5ccccc5F | InChi: | InChI=1S/C25H23FN6O2/c1-2-34-18-10-11-20(28-15-18)24-31-30-23(32(24)22-9-4-3-7-19(22)26)16-13-17(14-16)29-25(33)21-8-5-6-12-27-21/h3-12,15-17H,2,13-14H2,1H3,(H,29,33)/t16-,17- | Definition date: | 2019-11-15 | Last modified: | 2020-07-03 | Release date: | 2020-07-08 | Identifier: | ~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide |
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![N92 N92](https://data.pdbj.org/pdbjplus/data/cc/svg/N92.svg) | N92 | Name: | 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanyl-benzoic acid | Formula: | C16 H11 Cl N2 O3 S | SMILES: | OC(=O)c1ccc(Nc2scc(n2)c3ccc(Cl)cc3)cc1O | InChi: | InChI=1S/C16H11ClN2O3S/c17-10-3-1-9(2-4-10)13-8-23-16(19-13)18-11-5-6-12(15(21)22)14(20)7-11/h1-8,20H,(H,18,19)(H,21,22) | Definition date: | 2019-11-18 | Last modified: | 2020-07-03 | Release date: | 2020-07-08 | Identifier: | 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanyl-benzoic acid |
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![NDQ NDQ](https://data.pdbj.org/pdbjplus/data/cc/svg/NDQ.svg) | NDQ | Name: | 2-[3-[(4-azanyl-2-methoxy-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate | Formula: | C12 H19 N4 O8 P2 S | SMILES: | COc1ncc(C[n+]2csc(CCO[P](O)(=O)O[P](O)(O)=O)c2C)c(N)n1 | InChi: | InChI=1S/C12H18N4O8P2S/c1-8-10(3-4-23-26(20,21)24-25(17,18)19)27-7-16(8)6-9-5-14-12(22-2)15-11(9)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1 | Definition date: | 2019-11-26 | Last modified: | 2020-07-03 | Release date: | 2020-07-08 | Identifier: | 2-[3-[(4-azanyl-2-methoxy-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate |
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![NG5 NG5](https://data.pdbj.org/pdbjplus/data/cc/svg/NG5.svg) | NG5 | Name: | ~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide | Formula: | C28 H24 F N7 O2 | SMILES: | CCOc1ccc(nc1)c2nnc([CH]3C[CH](C3)NC(=O)c4ccnc5cccnc45)n2c6ccccc6F | InChi: | InChI=1S/C28H24FN7O2/c1-2-38-19-9-10-23(32-16-19)27-35-34-26(36(27)24-8-4-3-6-21(24)29)17-14-18(15-17)33-28(37)20-11-13-30-22-7-5-12-31-25(20)22/h3-13,16-18H,2,14-15H2,1H3,(H,33,37)/t17-,18- | Definition date: | 2019-11-29 | Last modified: | 2020-07-03 | Release date: | 2020-07-08 | Identifier: | ~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide |
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![NJ2 NJ2](https://data.pdbj.org/pdbjplus/data/cc/svg/NJ2.svg) | NJ2 | Name: | ~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,6-naphthyridine-2-carboxamide | Formula: | C28 H24 F N7 O2 | SMILES: | CCOc1ccc(nc1)c2nnc([CH]3C[CH](C3)NC(=O)c4ccc5cnccc5n4)n2c6ccccc6F | InChi: | InChI=1S/C28H24FN7O2/c1-2-38-20-8-10-23(31-16-20)27-35-34-26(36(27)25-6-4-3-5-21(25)29)18-13-19(14-18)32-28(37)24-9-7-17-15-30-12-11-22(17)33-24/h3-12,15-16,18-19H,2,13-14H2,1H3,(H,32,37)/t18-,19- | Definition date: | 2019-11-29 | Last modified: | 2020-07-03 | Release date: | 2020-07-08 | Identifier: | ~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,6-naphthyridine-2-carboxamide |
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![NJB NJB](https://data.pdbj.org/pdbjplus/data/cc/svg/NJB.svg) | NJB | Name: | ~{N}-[3-[4-(2-chlorophenyl)-5-(5-ethoxypyridin-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide | Formula: | C28 H24 Cl N7 O2 | SMILES: | CCOc1ccc(nc1)c2nnc([CH]3C[CH](C3)NC(=O)c4ccnc5cccnc45)n2c6ccccc6Cl | InChi: | InChI=1S/C28H24ClN7O2/c1-2-38-19-9-10-23(32-16-19)27-35-34-26(36(27)24-8-4-3-6-21(24)29)17-14-18(15-17)33-28(37)20-11-13-30-22-7-5-12-31-25(20)22/h3-13,16-18H,2,14-15H2,1H3,(H,33,37)/t17-,18- | Definition date: | 2019-11-29 | Last modified: | 2020-07-03 | Release date: | 2020-07-08 | Identifier: | ~{N}-[3-[4-(2-chlorophenyl)-5-(5-ethoxypyridin-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide |
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![NJH NJH](https://data.pdbj.org/pdbjplus/data/cc/svg/NJH.svg) | NJH | Name: | ~{N}-[3-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide | Formula: | C23 H18 Cl N7 O | SMILES: | Clc1ccccc1n2c(nnc2C34CC(C3)(C4)NC(=O)c5ccccn5)c6ccncn6 | InChi: | InChI=1S/C23H18ClN7O/c24-15-5-1-2-7-18(15)31-19(16-8-10-25-14-27-16)29-30-21(31)22-11-23(12-22,13-22)28-20(32)17-6-3-4-9-26-17/h1-10,14H,11-13H2,(H,28,32)/t22-,23+ | Definition date: | 2019-11-29 | Last modified: | 2020-07-03 | Release date: | 2020-07-08 | Identifier: | ~{N}-[3-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide |
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![NJK NJK](https://data.pdbj.org/pdbjplus/data/cc/svg/NJK.svg) | NJK | Name: | ~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-2-carboxamide | Formula: | C28 H24 F N7 O2 | SMILES: | CCOc1ccc(nc1)c2nnc([CH]3C[CH](C3)NC(=O)c4ccc5ncccc5n4)n2c6ccccc6F | InChi: | InChI=1S/C28H24FN7O2/c1-2-38-19-9-10-23(31-16-19)27-35-34-26(36(27)25-8-4-3-6-20(25)29)17-14-18(15-17)32-28(37)24-12-11-21-22(33-24)7-5-13-30-21/h3-13,16-18H,2,14-15H2,1H3,(H,32,37)/t17-,18- | Definition date: | 2019-11-29 | Last modified: | 2020-07-03 | Release date: | 2020-07-08 | Identifier: | ~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-2-carboxamide |
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![NJN NJN](https://data.pdbj.org/pdbjplus/data/cc/svg/NJN.svg) | NJN | Name: | ~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-phenyl-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide | Formula: | C28 H25 N7 O2 | SMILES: | CCOc1ccc(nc1)c2nnc([CH]3C[CH](C3)NC(=O)c4ccnc5cccnc45)n2c6ccccc6 | InChi: | InChI=1S/C28H25N7O2/c1-2-37-21-10-11-24(31-17-21)27-34-33-26(35(27)20-7-4-3-5-8-20)18-15-19(16-18)32-28(36)22-12-14-29-23-9-6-13-30-25(22)23/h3-14,17-19H,2,15-16H2,1H3,(H,32,36)/t18-,19- | Definition date: | 2019-11-29 | Last modified: | 2020-07-03 | Release date: | 2020-07-08 | Identifier: | ~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-phenyl-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide |
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![58A 58A](https://data.pdbj.org/pdbjplus/data/cc/svg/58A.svg) | 58A | Name: | 5'-O-[(R)-{[(S)-{(2R)-2,3-bis[(9E)-octadec-9-enoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine | Formula: | C48 H85 N3 O15 P2 | SMILES: | O=C1N(C=CC(=N1)N)C2OC(C(C2O)O)COP(=O)(O)OP(O)(OCC(COC(CCCCCCCC=CCCCCCCCC)=O)OC(CCCCCCCC=[C@H]CCCCCCCC)=O)=O | InChi: | InChI=1S/C48H85N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(52)61-37-40(64-44(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h17-20,35-36,40-41,45-47,54-55H,3-16,21-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/b19-17+,20-18+/t40-,41-,45-,46-,47-/m1/s1 | Synonyms: | cytidinediphosphate-dioleoylglycerol | Definition date: | 2015-08-19 | Last modified: | 2020-07-02 | Release date: | 2015-11-04 | Identifier: | 5'-O-[(R)-{[(S)-{(2R)-2,3-bis[(9E)-octadec-9-enoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine |
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![NQS NQS](https://data.pdbj.org/pdbjplus/data/cc/svg/NQS.svg) | NQS | Name: | 2-[(2-hydroxyethyl)sulfanyl]naphthalene-1,4-dione | Formula: | C12 H10 O3 S | SMILES: | O=C2c1c(cccc1)C(=O)C(SCCO)=C2 | InChi: | InChI=1S/C12H10O3S/c13-5-6-16-11-7-10(14)8-3-1-2-4-9(8)12(11)15/h1-4,7,13H,5-6H2 | Definition date: | 2014-04-24 | Last modified: | 2020-06-27 | Release date: | 2014-11-05 | Identifier: | 2-[(2-hydroxyethyl)sulfanyl]naphthalene-1,4-dione |
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