![BJ9 BJ9](https://data.pdbj.org/pdbjplus/data/cc/svg/BJ9.svg) | BJ9 | Name: | 1-{(2R,3R,4S,5R)-5-[(S)-{[(2S,3S,4S)-2-amino-5-(carbamoyloxy)-3,4-dihydroxypentanoyl]amino}(carboxy)methyl]-3,4-dihydroxyoxolan-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid (non-preferred name) | Formula: | C17 H23 N5 O14 | SMILES: | NC(=O)OCC(O)C(O)C(N)C(=O)NC(C1OC(N2C=C(C(=O)NC2=O)C(=O)O)C(O)C1O)C(=O)O | InChi: | InChI=1S/C17H23N5O14/c18-5(7(24)4(23)2-35-16(19)33)12(28)20-6(15(31)32)10-8(25)9(26)13(36-10)22-1-3(14(29)30)11(27)21-17(22)34/h1,4-10,13,23-26H,2,18H2,(H2,19,33)(H,20,28)(H,29,30)(H,31,32)(H,21,27,34)/t4-,5-,6-,7+,8-,9+,10+,13+/m0/s1 | Synonyms: | Polyoxin d | Definition date: | 2021-11-15 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | 1-{(2R,3R,4S,5R)-5-[(S)-{[(2S,3S,4S)-2-amino-5-(carbamoyloxy)-3,4-dihydroxypentanoyl]amino}(carboxy)methyl]-3,4-dihydroxyoxolan-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid (non-preferred name) |
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![57I 57I](https://data.pdbj.org/pdbjplus/data/cc/svg/57I.svg) | 57I | Name: | methyl 3-O-(4-methylbenzoyl)-2-O-(2-nitrobenzoyl)-beta-D-talopyranoside | Formula: | C22 H23 N O10 | SMILES: | COC1OC(CO)C(O)C(OC(=O)c2ccc(C)cc2)C1OC(=O)c1ccccc1[N+]([O-])=O | InChi: | InChI=1S/C22H23NO10/c1-12-7-9-13(10-8-12)20(26)32-18-17(25)16(11-24)31-22(30-2)19(18)33-21(27)14-5-3-4-6-15(14)23(28)29/h3-10,16-19,22,24-25H,11H2,1-2H3/t16-,17+,18+,19+,22-/m1/s1 | Definition date: | 2021-07-16 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | methyl 3-O-(4-methylbenzoyl)-2-O-(2-nitrobenzoyl)-beta-D-talopyranoside |
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![59O 59O](https://data.pdbj.org/pdbjplus/data/cc/svg/59O.svg) | 59O | Name: | methyl 2-O-(4-chloro-2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-beta-D-talopyranoside | Formula: | C22 H22 Cl N O10 | SMILES: | COC1OC(CO)C(O)C(OC(=O)c2ccc(C)cc2)C1OC(=O)c1ccc(Cl)cc1[N+]([O-])=O | InChi: | InChI=1S/C22H22ClNO10/c1-11-3-5-12(6-4-11)20(27)33-18-17(26)16(10-25)32-22(31-2)19(18)34-21(28)14-8-7-13(23)9-15(14)24(29)30/h3-9,16-19,22,25-26H,10H2,1-2H3/t16-,17+,18+,19+,22-/m1/s1 | Definition date: | 2021-07-16 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | methyl 2-O-(4-chloro-2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-beta-D-talopyranoside |
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![5A4 5A4](https://data.pdbj.org/pdbjplus/data/cc/svg/5A4.svg) | 5A4 | Name: | methyl 2-O-(4-fluoro-2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-beta-D-talopyranoside | Formula: | C22 H22 F N O10 | SMILES: | COC1OC(CO)C(O)C(OC(=O)c2ccc(C)cc2)C1OC(=O)c1ccc(F)cc1[N+]([O-])=O | InChi: | InChI=1S/C22H22FNO10/c1-11-3-5-12(6-4-11)20(27)33-18-17(26)16(10-25)32-22(31-2)19(18)34-21(28)14-8-7-13(23)9-15(14)24(29)30/h3-9,16-19,22,25-26H,10H2,1-2H3/t16-,17+,18+,19+,22-/m1/s1 | Definition date: | 2021-07-16 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | methyl 2-O-(4-fluoro-2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-beta-D-talopyranoside |
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![5BI 5BI](https://data.pdbj.org/pdbjplus/data/cc/svg/5BI.svg) | 5BI | Name: | methyl 3-O-(4-methylbenzoyl)-2-O-[2-nitro-4-(trifluoromethyl)benzoyl]-beta-D-talopyranoside | Formula: | C23 H22 F3 N O10 | SMILES: | COC1OC(CO)C(O)C(OC(=O)c2ccc(C)cc2)C1OC(=O)c1ccc(cc1[N+]([O-])=O)C(F)(F)F | InChi: | InChI=1S/C23H22F3NO10/c1-11-3-5-12(6-4-11)20(30)36-18-17(29)16(10-28)35-22(34-2)19(18)37-21(31)14-8-7-13(23(24,25)26)9-15(14)27(32)33/h3-9,16-19,22,28-29H,10H2,1-2H3/t16-,17+,18+,19+,22-/m1/s1 | Definition date: | 2021-07-16 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | methyl 3-O-(4-methylbenzoyl)-2-O-[2-nitro-4-(trifluoromethyl)benzoyl]-beta-D-talopyranoside |
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![5EI 5EI](https://data.pdbj.org/pdbjplus/data/cc/svg/5EI.svg) | 5EI | Name: | methyl 3-O-(4-methylbenzoyl)-2-O-(3-nitrobenzoyl)-beta-D-talopyranoside | Formula: | C22 H23 N O10 | SMILES: | COC1OC(CO)C(O)C(OC(=O)c2ccc(C)cc2)C1OC(=O)c1cccc(c1)[N+]([O-])=O | InChi: | InChI=1S/C22H23NO10/c1-12-6-8-13(9-7-12)20(26)32-18-17(25)16(11-24)31-22(30-2)19(18)33-21(27)14-4-3-5-15(10-14)23(28)29/h3-10,16-19,22,24-25H,11H2,1-2H3/t16-,17+,18+,19+,22-/m1/s1 | Definition date: | 2021-07-16 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | methyl 3-O-(4-methylbenzoyl)-2-O-(3-nitrobenzoyl)-beta-D-talopyranoside |
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![QLF QLF](https://data.pdbj.org/pdbjplus/data/cc/svg/QLF.svg) | QLF | Name: | (1S,2S)-4-hydroxy-1-[(5,6,7,8-tetrahydro-1,8-naphthyridine-3-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid | Formula: | C19 H19 N3 O4 | SMILES: | O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1cnc2NCCCc2c1 | InChi: | InChI=1S/C19H19N3O4/c23-15-5-1-4-12-13(15)8-14(19(25)26)16(12)22-18(24)11-7-10-3-2-6-20-17(10)21-9-11/h1,4-5,7,9,14,16,23H,2-3,6,8H2,(H,20,21)(H,22,24)(H,25,26)/t14-,16+/m0/s1 | Definition date: | 2022-06-14 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | (1S,2S)-4-hydroxy-1-[(5,6,7,8-tetrahydro-1,8-naphthyridine-3-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid |
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![7SU 7SU](https://data.pdbj.org/pdbjplus/data/cc/svg/7SU.svg) | 7SU | Name: | (E)-3-(1-(5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)isoxazole-4-carbonyl)-3-methyl-1H-indol-4-yl)acrylic acid | Formula: | C25 H18 Cl3 F N2 O4 | SMILES: | Cc1cn(C(=O)c2c(onc2c3c(Cl)cc(Cl)cc3Cl)C(C)(C)F)c4cccc(C=CC(O)=O)c14 | InChi: | InChI=1S/C25H18Cl3FN2O4/c1-12-11-31(17-6-4-5-13(19(12)17)7-8-18(32)33)24(34)21-22(30-35-23(21)25(2,3)29)20-15(27)9-14(26)10-16(20)28/h4-11H,1-3H3,(H,32,33)/b8-7+ | Synonyms: | (2E)-3-(1-{[5-(2-Fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)-1,2-oxazol-4-yl]carbonyl}-3-methyl-1H-indol-4-yl)prop-2-enoic acid | Definition date: | 2021-08-25 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | (~{E})-3-[1-[[5-(2-fluoranylpropan-2-yl)-3-[2,4,6-tris(chloranyl)phenyl]-1,2-oxazol-4-yl]carbonyl]-3-methyl-indol-4-yl]prop-2-enoic acid |
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![1JA 1JA](https://data.pdbj.org/pdbjplus/data/cc/svg/1JA.svg) | 1JA | Name: | 2-ethylpyridine-4-carboximidothioic acid | Formula: | C8 H10 N2 S | SMILES: | CCc1cc(ccn1)C(S)=N | InChi: | InChI=1S/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11) | Definition date: | 2021-06-28 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | 2-ethylpyridine-4-carboximidothioic acid |
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![2IY 2IY](https://data.pdbj.org/pdbjplus/data/cc/svg/2IY.svg) | 2IY | Name: | 3-(4-chlorophenyl)-5-methylsulfanyl-1~{H}-pyrazole-4-carbonitrile | Formula: | C11 H8 Cl N3 S | SMILES: | CSc1[nH]nc(c2ccc(Cl)cc2)c1C#N | InChi: | InChI=1S/C11H8ClN3S/c1-16-11-9(6-13)10(14-15-11)7-2-4-8(12)5-3-7/h2-5H,1H3,(H,14,15) | Definition date: | 2021-06-22 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | 3-(4-chlorophenyl)-5-methylsulfanyl-1~{H}-pyrazole-4-carbonitrile |
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![K7U K7U](https://data.pdbj.org/pdbjplus/data/cc/svg/K7U.svg) | K7U | Name: | 6-[3-(3,3-difluoroazetidin-1-yl)prop-1-yn-1-yl]-4-methylpyridin-2-amine | Formula: | C12 H13 F2 N3 | SMILES: | Cc1cc(nc(N)c1)C#CCN1CC(F)(F)C1 | InChi: | InChI=1S/C12H13F2N3/c1-9-5-10(16-11(15)6-9)3-2-4-17-7-12(13,14)8-17/h5-6H,4,7-8H2,1H3,(H2,15,16) | Definition date: | 2022-02-03 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | 6-[3-(3,3-difluoroazetidin-1-yl)prop-1-yn-1-yl]-4-methylpyridin-2-amine |
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![K8O K8O](https://data.pdbj.org/pdbjplus/data/cc/svg/K8O.svg) | K8O | Name: | 6-[3-(4,4-difluoropiperidin-1-yl)prop-1-yn-1-yl]-4-methylpyridin-2-amine | Formula: | C14 H17 F2 N3 | SMILES: | Cc1cc(C#CCN2CCC(F)(F)CC2)nc(N)c1 | InChi: | InChI=1S/C14H17F2N3/c1-11-9-12(18-13(17)10-11)3-2-6-19-7-4-14(15,16)5-8-19/h9-10H,4-8H2,1H3,(H2,17,18) | Definition date: | 2022-02-03 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | 6-[3-(4,4-difluoropiperidin-1-yl)prop-1-yn-1-yl]-4-methylpyridin-2-amine |
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![K90 K90](https://data.pdbj.org/pdbjplus/data/cc/svg/K90.svg) | K90 | Name: | 4-methyl-6-[3-(4-methylpiperazin-1-yl)prop-1-yn-1-yl]pyridin-2-amine | Formula: | C14 H20 N4 | SMILES: | Cc1cc(C#CCN2CCN(C)CC2)nc(N)c1 | InChi: | InChI=1S/C14H20N4/c1-12-10-13(16-14(15)11-12)4-3-5-18-8-6-17(2)7-9-18/h10-11H,5-9H2,1-2H3,(H2,15,16) | Definition date: | 2022-02-03 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | 4-methyl-6-[3-(4-methylpiperazin-1-yl)prop-1-yn-1-yl]pyridin-2-amine |
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![K9C K9C](https://data.pdbj.org/pdbjplus/data/cc/svg/K9C.svg) | K9C | Name: | 4-methyl-6-[3-(methylamino)prop-1-yn-1-yl]pyridin-2-amine | Formula: | C10 H13 N3 | SMILES: | Cc1cc(C#CCNC)nc(N)c1 | InChi: | InChI=1S/C10H13N3/c1-8-6-9(4-3-5-12-2)13-10(11)7-8/h6-7,12H,5H2,1-2H3,(H2,11,13) | Definition date: | 2022-02-03 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | 4-methyl-6-[3-(methylamino)prop-1-yn-1-yl]pyridin-2-amine |
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![2QI 2QI](https://data.pdbj.org/pdbjplus/data/cc/svg/2QI.svg) | 2QI | Name: | calcitroic acid | Formula: | C23 H34 O4 | SMILES: | C[CH](CC(O)=O)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=C | InChi: | InChI=1S/C23H34O4/c1-14(11-22(26)27)19-8-9-20-16(5-4-10-23(19,20)3)6-7-17-12-18(24)13-21(25)15(17)2/h6-7,14,18-21,24-25H,2,4-5,8-13H2,1,3H3,(H,26,27)/b16-6+,17-7-/t14-,18-,19-,20+,21+,23-/m1/s1 | Synonyms: | (3~{R})-3-[(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]butanoic acid | Definition date: | 2021-06-23 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | (3~{R})-3-[(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]butanoic acid |
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![KKU KKU](https://data.pdbj.org/pdbjplus/data/cc/svg/KKU.svg) | KKU | Name: | 4-methyl-6-[3-(methylamino)propyl]pyridin-2-amine | Formula: | C10 H17 N3 | SMILES: | Cc1cc(CCCNC)nc(N)c1 | InChi: | InChI=1S/C10H17N3/c1-8-6-9(4-3-5-12-2)13-10(11)7-8/h6-7,12H,3-5H2,1-2H3,(H2,11,13) | Definition date: | 2022-02-04 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | 4-methyl-6-[3-(methylamino)propyl]pyridin-2-amine |
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![KL0 KL0](https://data.pdbj.org/pdbjplus/data/cc/svg/KL0.svg) | KL0 | Name: | 6-[3-(dimethylamino)propyl]-4-methylpyridin-2-amine | Formula: | C11 H19 N3 | SMILES: | Cc1cc(CCCN(C)C)nc(N)c1 | InChi: | InChI=1S/C11H19N3/c1-9-7-10(13-11(12)8-9)5-4-6-14(2)3/h7-8H,4-6H2,1-3H3,(H2,12,13) | Definition date: | 2022-02-04 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | 6-[3-(dimethylamino)propyl]-4-methylpyridin-2-amine |
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![KMI KMI](https://data.pdbj.org/pdbjplus/data/cc/svg/KMI.svg) | KMI | Name: | 4-methyl-6-{3-[(methylamino)methyl]phenyl}pyridin-2-amine | Formula: | C14 H17 N3 | SMILES: | Cc1cc(nc(N)c1)c1cccc(CNC)c1 | InChi: | InChI=1S/C14H17N3/c1-10-6-13(17-14(15)7-10)12-5-3-4-11(8-12)9-16-2/h3-8,16H,9H2,1-2H3,(H2,15,17) | Definition date: | 2022-02-04 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | 4-methyl-6-{3-[(methylamino)methyl]phenyl}pyridin-2-amine |
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![KMR KMR](https://data.pdbj.org/pdbjplus/data/cc/svg/KMR.svg) | KMR | Name: | 4-methyl-6-[3-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine | Formula: | C14 H24 N4 | SMILES: | Cc1cc(CCCN2CCN(C)CC2)nc(N)c1 | InChi: | InChI=1S/C14H24N4/c1-12-10-13(16-14(15)11-12)4-3-5-18-8-6-17(2)7-9-18/h10-11H,3-9H2,1-2H3,(H2,15,16) | Definition date: | 2022-02-07 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | 4-methyl-6-[3-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine |
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![L3X L3X](https://data.pdbj.org/pdbjplus/data/cc/svg/L3X.svg) | L3X | Name: | 3'-deoxy-3'-(glycylamino)adenosine 5'-(dihydrogen phosphate) | Formula: | C12 H18 N7 O7 P | SMILES: | O=P(O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1NC(=O)CN | InChi: | InChI=1S/C12H18N7O7P/c13-1-6(20)18-7-5(2-25-27(22,23)24)26-12(9(7)21)19-4-17-8-10(14)15-3-16-11(8)19/h3-5,7,9,12,21H,1-2,13H2,(H,18,20)(H2,14,15,16)(H2,22,23,24)/t5-,7-,9-,12-/m1/s1 | Definition date: | 2022-02-25 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | 3'-deoxy-3'-(glycylamino)adenosine 5'-(dihydrogen phosphate) |
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![3IM 3IM](https://data.pdbj.org/pdbjplus/data/cc/svg/3IM.svg) | 3IM | Name: | 2,6-ditert-butyl-4-methyl-phenol | Formula: | C15 H24 O | SMILES: | Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C | InChi: | InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3 | Synonyms: | 2,6-di-tert-butyl-p-cresol | Definition date: | 2021-07-18 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | 2,6-di~{tert}-butyl-4-methyl-phenol |
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![D9X D9X](https://data.pdbj.org/pdbjplus/data/cc/svg/D9X.svg) | D9X | Name: | (2S,7R,7aR,13aP,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-5,21,23-trihydroxy-27-methoxy-2,4,16,20,22,24,26-heptamethyl-10-[4-(2-methylpropyl)piperazin-1-yl]-12-({4-[(morpholin-4-yl)methyl]phenyl}methoxy)-1,6,15-trioxo-1,2,7,7a-tetrahydro-6H-2,7-(epoxypentadeca[1,11,13]trienoimino)[1]benzofuro[4,5-a]phenoxazin-25-yl acetate | Formula: | C63 H81 N5 O14 | SMILES: | CC(C)CN1CCN(CC1)c1cc2OC3C4NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C)C(OC)C=COC5(C)Oc6c(C)c(O)c(C4=O)c(C3=Nc2c(OCc2ccc(CN3CCOCC3)cc2)c1)c6C5=O | InChi: | InChI=1S/C63H81N5O14/c1-34(2)31-66-20-22-68(23-21-66)44-29-46(78-33-43-17-15-42(16-18-43)32-67-24-27-77-28-25-67)51-47(30-44)81-60-52(64-51)48-49-56(72)40(8)59-50(48)61(74)63(10,82-59)79-26-19-45(76-11)37(5)58(80-41(9)69)39(7)55(71)38(6)54(70)35(3)13-12-14-36(4)62(75)65-53(60)57(49)73/h12-19,26,29-30,34-35,37-39,45,53-55,58,60,70-72H,20-25,27-28,31-33H2,1-11H3,(H,65,75)/b13-12+,26-19+,36-14-/t35-,37+,38+,39+,45-,53-,54-,55+,58+,60?,63-/m0/s1 | Definition date: | 2021-11-29 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | (2S,7R,7aR,13aP,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-5,21,23-trihydroxy-27-methoxy-2,4,16,20,22,24,26-heptamethyl-10-[4-(2-methylpropyl)piperazin-1-yl]-12-({4-[(morpholin-4-yl)methyl]phenyl}methoxy)-1,6,15-trioxo-1,2,7,7a-tetrahydro-6H-2,7-(epoxypentadeca[1,11,13]trienoimino)[1]benzofuro[4,5-a]phenoxazin-25-yl acetate |
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![4I0 4I0](https://data.pdbj.org/pdbjplus/data/cc/svg/4I0.svg) | 4I0 | Name: | 2-[[2-ethyl-6-[4-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-2,3-dihydro-1,3-thiazole-5-carbonitrile | Formula: | C30 H34 F2 N8 O S | SMILES: | CCc1nc2ccc(cn2c1N(C)[CH]3NC(=C(S3)C#N)c4ccc(F)cc4)N5CCN(CC5)CC(=O)N6CC[CH](F)C6 | InChi: | InChI=1S/C30H34F2N8OS/c1-3-24-29(36(2)30-35-28(25(16-33)42-30)20-4-6-21(31)7-5-20)40-18-23(8-9-26(40)34-24)38-14-12-37(13-15-38)19-27(41)39-11-10-22(32)17-39/h4-9,18,22,30,35H,3,10-15,17,19H2,1-2H3/t22-,30+/m1/s1 | Definition date: | 2021-06-30 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | 2-[[2-ethyl-6-[4-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-2,3-dihydro-1,3-thiazole-5-carbonitrile |
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![4IW 4IW](https://data.pdbj.org/pdbjplus/data/cc/svg/4IW.svg) | 4IW | Name: | (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]diselanyl}oxane-3,4,5-triol (non-preferred name) | Formula: | C12 H22 O10 Se2 | SMILES: | OC1C([Se][Se]C2OC(CO)C(O)C(O)C2O)OC(CO)C(O)C1O | InChi: | InChI=1S/C12H22O10Se2/c13-1-3-5(15)7(17)9(19)11(21-3)23-24-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/m1/s1 | Definition date: | 2021-07-12 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]diselanyl}oxane-3,4,5-triol (non-preferred name) |
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![4IZ 4IZ](https://data.pdbj.org/pdbjplus/data/cc/svg/4IZ.svg) | 4IZ | Name: | beta-D-galactopyranosyl 1-seleno-beta-D-galactopyranoside | Formula: | C12 H22 O10 Se | SMILES: | OC1C(OC(CO)C(O)C1O)[Se]C1OC(CO)C(O)C(O)C1O | InChi: | InChI=1S/C12H22O10Se/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/m1/s1 | Definition date: | 2021-07-12 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | beta-D-galactopyranosyl 1-seleno-beta-D-galactopyranoside |
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