![A8H A8H](https://data.pdbj.org/pdbjplus/data/cc/svg/A8H.svg) | A8H | Name: | (3~{a}~{R},5~{S},7~{a}~{S})-5-phenyl-3~{a},4,5,6,7,7~{a}-hexahydroisoindole-1,3-dione | Formula: | C14 H15 N O2 | SMILES: | O=C1NC(=O)[CH]2C[CH](CC[CH]12)c3ccccc3 | InChi: | InChI=1S/C14H15NO2/c16-13-11-7-6-10(8-12(11)14(17)15-13)9-4-2-1-3-5-9/h1-5,10-12H,6-8H2,(H,15,16,17)/t10-,11-,12+/m0/s1 | Definition date: | 2017-08-16 | Last modified: | 2017-10-27 | Release date: | 2017-11-01 | Identifier: | (3~{a}~{R},5~{S},7~{a}~{S})-5-phenyl-3~{a},4,5,6,7,7~{a}-hexahydroisoindole-1,3-dione |
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![A8K A8K](https://data.pdbj.org/pdbjplus/data/cc/svg/A8K.svg) | A8K | Name: | 4-(4-hydroxyphenyl)sulfanylphenol | Formula: | C12 H10 O2 S | SMILES: | Oc1ccc(Sc2ccc(O)cc2)cc1 | InChi: | InChI=1S/C12H10O2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H | Definition date: | 2017-08-17 | Last modified: | 2017-10-27 | Release date: | 2017-11-01 | Identifier: | 4-(4-hydroxyphenyl)sulfanylphenol |
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![A9B A9B](https://data.pdbj.org/pdbjplus/data/cc/svg/A9B.svg) | A9B | Name: | 5-(4-chlorophenyl)furan-2-carbohydrazide | Formula: | C11 H9 Cl N2 O2 | SMILES: | NNC(=O)c1oc(cc1)c2ccc(Cl)cc2 | InChi: | InChI=1S/C11H9ClN2O2/c12-8-3-1-7(2-4-8)9-5-6-10(16-9)11(15)14-13/h1-6H,13H2,(H,14,15) | Definition date: | 2017-08-17 | Last modified: | 2017-10-27 | Release date: | 2017-11-01 | Identifier: | 5-(4-chlorophenyl)furan-2-carbohydrazide |
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![A9E A9E](https://data.pdbj.org/pdbjplus/data/cc/svg/A9E.svg) | A9E | Name: | 2-(4-ethylphenoxy)-1-piperidin-1-yl-ethanone | Formula: | C15 H21 N O2 | SMILES: | CCc1ccc(OCC(=O)N2CCCCC2)cc1 | InChi: | InChI=1S/C15H21NO2/c1-2-13-6-8-14(9-7-13)18-12-15(17)16-10-4-3-5-11-16/h6-9H,2-5,10-12H2,1H3 | Definition date: | 2017-08-17 | Last modified: | 2017-10-27 | Release date: | 2017-11-01 | Identifier: | 2-(4-ethylphenoxy)-1-piperidin-1-yl-ethanone |
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![8K4 8K4](https://data.pdbj.org/pdbjplus/data/cc/svg/8K4.svg) | 8K4 | Name: | 2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-methoxyazetidin-1-yl)ethanone | Formula: | C22 H28 F N O2 | SMILES: | c1c(ccc(c1)F)C3(CC(=O)N2CC(C2)OC)C4CC5CC3CC(C4)C5 | InChi: | InChI=1S/C22H28FNO2/c1-26-20-12-24(13-20)21(25)11-22(16-2-4-19(23)5-3-16)17-7-14-6-15(9-17)10-18(22)8-14/h2-5,14-15,17-18,20H,6-13H2,1H3/t14-,15+,17-,18+,22- | Definition date: | 2017-02-10 | Last modified: | 2017-10-27 | Release date: | 2017-11-01 | Identifier: | 2-[(1R,2s,3S,5S,7S)-2-(4-fluorophenyl)tricyclo[3.3.1.1~3,7~]decan-2-yl]-1-(3-methoxyazetidin-1-yl)ethan-1-one |
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![8K7 8K7](https://data.pdbj.org/pdbjplus/data/cc/svg/8K7.svg) | 8K7 | Name: | 1-(3-HYDROXYAZETIDIN-1-YL)-2-[(2S,5R)-2-(4-FLUOROPHENYL)-5-METHOXYADAMANTAN-2-YL]ETHAN-1-ONE | Formula: | C22 H28 F N O3 | SMILES: | c1cc(ccc1C3(CC(N2CC(O)C2)=O)C4CC5CC3CC(C4)(C5)OC)F | InChi: | InChI=1S/C22H28FNO3/c1-27-21-8-14-6-16(9-21)22(17(7-14)10-21,15-2-4-18(23)5-3-15)11-20(26)24-12-19(25)13-24/h2-5,14,16-17,19,25H,6-13H2,1H3/t14-,16-,17+,21-,22- | Definition date: | 2017-02-10 | Last modified: | 2017-10-27 | Release date: | 2017-11-01 | Identifier: | 2-[(1R,2s,3S,5R,7R)-2-(4-fluorophenyl)-5-methoxytricyclo[3.3.1.1~3,7~]decan-2-yl]-1-(3-hydroxyazetidin-1-yl)ethan-1-one |
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![8KA 8KA](https://data.pdbj.org/pdbjplus/data/cc/svg/8KA.svg) | 8KA | Name: | 2-[(1R,3S,5R,7S)-2-[4-(4-FLUOROPHENYL)PHENYL]-6-HYDROXYADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE | Formula: | C27 H30 F N O3 | SMILES: | N1(CC(O)C1)C(=O)CC4(c2ccc(cc2)c3ccc(F)cc3)C6CC5C(C(CC4C5)C6)O | InChi: | InChI=1S/C27H30FNO3/c28-23-7-3-17(4-8-23)16-1-5-20(6-2-16)27(13-25(31)29-14-24(30)15-29)21-9-18-10-22(27)12-19(11-21)26(18)32/h1-8,18-19,21-22,24,26,30,32H,9-15H2/t18-,19+,21-,22+,26-,27-/m1/s1 | Definition date: | 2017-02-10 | Last modified: | 2017-10-27 | Release date: | 2017-11-01 | Identifier: | 2-[(1R,2S,3S,5R,6S,7S)-2-(4'-fluoro[1,1'-biphenyl]-4-yl)-6-hydroxytricyclo[3.3.1.1~3,7~]decan-2-yl]-1-(3-hydroxyazetidin-1-yl)ethan-1-one |
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![8KD 8KD](https://data.pdbj.org/pdbjplus/data/cc/svg/8KD.svg) | 8KD | Name: | 2-(2-BENZYL-6-HYDROXYADAMANTAN-2-YL)-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE | Formula: | C22 H29 N O3 | SMILES: | c1ccccc1CC3(CC(=O)N2CC(O)C2)C5CC4C(C(CC3C4)C5)O | InChi: | InChI=1S/C22H29NO3/c24-19-12-23(13-19)20(25)11-22(10-14-4-2-1-3-5-14)17-6-15-7-18(22)9-16(8-17)21(15)26/h1-5,15-19,21,24,26H,6-13H2/t15-,16+,17-,18+,21-,22-/m0/s1 | Definition date: | 2017-02-10 | Last modified: | 2017-10-27 | Release date: | 2017-11-01 | Identifier: | 2-[(1R,2R,3S,5R,6R,7S)-2-benzyl-6-hydroxytricyclo[3.3.1.1~3,7~]decan-2-yl]-1-(3-hydroxyazetidin-1-yl)ethan-1-one |
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![P50 P50](https://data.pdbj.org/pdbjplus/data/cc/svg/P50.svg) | P50 | Name: | (19S,22S,25R)-25-amino-22-hydroxy-16,22,26-trioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9Z)-octadec-9-enoate | Formula: | C40 H76 N O9 P | SMILES: | O=C(CCCCCCC[C@H]=[C@H]CCCCCCCC)OC(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCC(N)C=O | InChi: | InChI=1S/C40H76NO9P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(41)33-42)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,33,37-38H,3-16,19-32,34-36,41H2,1-2H3,(H,45,46)/b18-17-/t37-,38-/m0/s1 | Definition date: | 2017-10-18 | Last modified: | 2017-10-27 | Release date: | 2017-11-01 | Identifier: | (19S,22S,25R)-25-amino-22-hydroxy-16,22,26-trioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9Z)-octadec-9-enoate |
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![8NT 8NT](https://data.pdbj.org/pdbjplus/data/cc/svg/8NT.svg) | 8NT | Name: | 3-[5-[(3~{S})-1,2-dithiolan-3-yl]pentanoylamino]propane-1-sulfonic acid | Formula: | C11 H21 N O4 S3 | SMILES: | O[S](=O)(=O)CCCNC(=O)CCCC[CH]1CCSS1 | InChi: | InChI=1S/C11H21NO4S3/c13-11(12-7-3-9-19(14,15)16)5-2-1-4-10-6-8-17-18-10/h10H,1-9H2,(H,12,13)(H,14,15,16)/t10-/m0/s1 | Definition date: | 2017-02-14 | Last modified: | 2017-10-27 | Release date: | 2017-11-01 | Identifier: | 3-[5-[(3~{S})-1,2-dithiolan-3-yl]pentanoylamino]propane-1-sulfonic acid |
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![8NW 8NW](https://data.pdbj.org/pdbjplus/data/cc/svg/8NW.svg) | 8NW | Name: | 5-[(3~{S})-1,2-dithiolan-3-yl]-~{N}-(3-oxidanylpropyl)pentanamide | Formula: | C11 H21 N O2 S2 | SMILES: | OCCCNC(=O)CCCC[CH]1CCSS1 | InChi: | InChI=1S/C11H21NO2S2/c13-8-3-7-12-11(14)5-2-1-4-10-6-9-15-16-10/h10,13H,1-9H2,(H,12,14)/t10-/m0/s1 | Definition date: | 2017-02-14 | Last modified: | 2017-10-27 | Release date: | 2017-11-01 | Identifier: | 5-[(3~{S})-1,2-dithiolan-3-yl]-~{N}-(3-oxidanylpropyl)pentanamide |
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![AHW AHW](https://data.pdbj.org/pdbjplus/data/cc/svg/AHW.svg) | AHW | Name: | 2-ethyl-7-methoxy-naphthalene | Formula: | C13 H14 O | SMILES: | CCc1ccc2ccc(OC)cc2c1 | InChi: | InChI=1S/C13H14O/c1-3-10-4-5-11-6-7-13(14-2)9-12(11)8-10/h4-9H,3H2,1-2H3 | Definition date: | 2017-08-21 | Last modified: | 2017-10-27 | Release date: | 2017-11-01 | Identifier: | 2-ethyl-7-methoxy-naphthalene |
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![BJW BJW](https://data.pdbj.org/pdbjplus/data/cc/svg/BJW.svg) | BJW | Name: | 4-[(2~{R},3~{a}~{R},5~{R},6~{R},6~{a}~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-[[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]butanoic acid | Formula: | C48 H64 N10 O19 P2 S | SMILES: | CC(C)NC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)[CH](CCCCN[C]3(CCCC(O)=O)O[CH]4[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]5O[CH]([CH](O)[CH]5O)n6cnc7c(N)ncnc67)O[CH]4S3)NC(=O)OCc8ccccc8 | InChi: | InChI=1S/C48H64N10O19P2S/c1-26(2)55-44(65)32(19-28-20-50-30-14-7-6-13-29(28)30)56-43(64)31(57-47(66)71-21-27-11-4-3-5-12-27)15-8-9-18-54-48(17-10-16-35(59)60)76-40-38(62)34(75-46(40)80-48)23-73-79(69,70)77-78(67,68)72-22-33-37(61)39(63)45(74-33)58-25-53-36-41(49)51-24-52-42(36)58/h3-7,11-14,20,24-26,31-34,37-40,45-46,50,54,61-63H,8-10,15-19,21-23H2,1-2H3,(H,55,65)(H,56,64)(H,57,66)(H,59,60)(H,67,68)(H,69,70)(H2,49,51,52)/t31-,32-,33+,34+,37+,38+,39+,40+,45+,46+,48+/m0/s1 | Definition date: | 2017-10-07 | Last modified: | 2017-10-27 | Release date: | 2017-11-01 | Identifier: | 4-[(2~{R},3~{a}~{R},5~{R},6~{R},6~{a}~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-[[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]butanoic acid |
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![AY4 AY4](https://data.pdbj.org/pdbjplus/data/cc/svg/AY4.svg) | AY4 | Name: | 2,4-bis(fluoranyl)-6-(1~{H}-pyrazol-3-yl)phenol | Formula: | C9 H6 F2 N2 O | SMILES: | n2ccc(c1cc(F)cc(c1O)F)n2 | InChi: | InChI=1S/C9H6F2N2O/c10-5-3-6(8-1-2-12-13-8)9(14)7(11)4-5/h1-4,14H,(H,12,13) | Definition date: | 2017-07-28 | Last modified: | 2017-10-27 | Release date: | 2017-11-01 | Identifier: | 2,4-difluoro-6-(1H-pyrazol-3-yl)phenol |
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![B4K B4K](https://data.pdbj.org/pdbjplus/data/cc/svg/B4K.svg) | B4K | Name: | ~{N}-[6-[3,4-bis(oxidanyl)phenyl]-1~{H}-pyrazolo[3,4-b]pyridin-3-yl]ethanamide | Formula: | C14 H12 N4 O3 | SMILES: | CC(=O)Nc1n[nH]c2nc(ccc12)c3ccc(O)c(O)c3 | InChi: | InChI=1S/C14H12N4O3/c1-7(19)15-13-9-3-4-10(16-14(9)18-17-13)8-2-5-11(20)12(21)6-8/h2-6,20-21H,1H3,(H2,15,16,17,18,19) | Definition date: | 2017-09-08 | Last modified: | 2017-10-27 | Release date: | 2017-11-01 | Identifier: | ~{N}-[6-[3,4-bis(oxidanyl)phenyl]-1~{H}-pyrazolo[3,4-b]pyridin-3-yl]ethanamide |
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![B6E B6E](https://data.pdbj.org/pdbjplus/data/cc/svg/B6E.svg) | B6E | Name: | ~{N}-[5-[4-[[2-fluoranyl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1~{H}-benzimidazol-2-yl]furan-2-carboxamide | Formula: | C26 H17 F4 N5 O4 | SMILES: | Fc1ccc(cc1NC(=O)Nc2ccc(Oc3ccc4[nH]c(NC(=O)c5occc5)nc4c3)cc2)C(F)(F)F | InChi: | InChI=1S/C26H17F4N5O4/c27-18-9-3-14(26(28,29)30)12-20(18)34-25(37)31-15-4-6-16(7-5-15)39-17-8-10-19-21(13-17)33-24(32-19)35-23(36)22-2-1-11-38-22/h1-13H,(H2,31,34,37)(H2,32,33,35,36) | Definition date: | 2017-09-19 | Last modified: | 2017-10-27 | Release date: | 2017-11-01 | Identifier: | ~{N}-[5-[4-[[2-fluoranyl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1~{H}-benzimidazol-2-yl]furan-2-carboxamide |
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![BV8 BV8](https://data.pdbj.org/pdbjplus/data/cc/svg/BV8.svg) | BV8 | Name: | 3-[[(~{Z})-~{C}-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]sulfanyl-~{N}-[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]carbonimidoyl]amino]propanoic acid | Formula: | C47 H63 N11 O19 P2 S | SMILES: | CC(C)NC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)[CH](CCCCN=C(NCCC(O)=O)S[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O)NC(=O)OCc7ccccc7 | InChi: | InChI=1S/C47H63N11O19P2S/c1-25(2)55-43(66)31(18-27-19-51-29-13-7-6-12-28(27)29)56-42(65)30(57-47(67)72-20-26-10-4-3-5-11-26)14-8-9-16-49-46(50-17-15-34(59)60)80-45-39(64)37(62)33(76-45)22-74-79(70,71)77-78(68,69)73-21-32-36(61)38(63)44(75-32)58-24-54-35-40(48)52-23-53-41(35)58/h3-7,10-13,19,23-25,30-33,36-39,44-45,51,61-64H,8-9,14-18,20-22H2,1-2H3,(H,49,50)(H,55,66)(H,56,65)(H,57,67)(H,59,60)(H,68,69)(H,70,71)(H2,48,52,53)/t30-,31-,32+,33+,36+,37+,38+,39+,44+,45+/m0/s1 | Definition date: | 2017-10-15 | Last modified: | 2017-10-27 | Release date: | 2017-11-01 | Identifier: | 3-[[(~{Z})-~{C}-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]sulfanyl-~{N}-[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]carbonimidoyl]amino]propanoic acid |
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![BVT BVT](https://data.pdbj.org/pdbjplus/data/cc/svg/BVT.svg) | BVT | Name: | 3-[[(2~{S},3~{a}~{R},5~{R},6~{R},6~{a}~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-[[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]amino]propanoic acid | Formula: | C47 H63 N11 O19 P2 S | SMILES: | CC(C)NC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)[CH](CCCCN[C]3(NCCC(O)=O)O[CH]4[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]5O[CH]([CH](O)[CH]5O)n6cnc7c(N)ncnc67)O[CH]4S3)NC(=O)OCc8ccccc8 | InChi: | InChI=1S/C47H63N11O19P2S/c1-25(2)55-43(65)31(18-27-19-49-29-13-7-6-12-28(27)29)56-42(64)30(57-46(66)71-20-26-10-4-3-5-11-26)14-8-9-16-53-47(54-17-15-34(59)60)76-39-37(62)33(75-45(39)80-47)22-73-79(69,70)77-78(67,68)72-21-32-36(61)38(63)44(74-32)58-24-52-35-40(48)50-23-51-41(35)58/h3-7,10-13,19,23-25,30-33,36-39,44-45,49,53-54,61-63H,8-9,14-18,20-22H2,1-2H3,(H,55,65)(H,56,64)(H,57,66)(H,59,60)(H,67,68)(H,69,70)(H2,48,50,51)/t30-,31-,32+,33+,36+,37+,38+,39+,44+,45+,47-/m0/s1 | Definition date: | 2017-10-18 | Last modified: | 2017-10-27 | Release date: | 2017-11-01 | Identifier: | 3-[[(2~{S},3~{a}~{R},5~{R},6~{R},6~{a}~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-[[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]amino]propanoic acid |
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![ZQC ZQC](https://data.pdbj.org/pdbjplus/data/cc/svg/ZQC.svg) | ZQC | Name: | 4-methylsulfanyl-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide | Formula: | C16 H13 N3 O S2 | SMILES: | CSc1ccc(cc1)C(=O)Nc2scc(n2)c3ccccn3 | InChi: | InChI=1S/C16H13N3OS2/c1-21-12-7-5-11(6-8-12)15(20)19-16-18-14(10-22-16)13-4-2-3-9-17-13/h2-10H,1H3,(H,18,19,20) | Definition date: | 2017-01-28 | Last modified: | 2017-10-20 | Release date: | 2017-10-25 | Identifier: | 4-methylsulfanyl-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide |
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![YP6 YP6](https://data.pdbj.org/pdbjplus/data/cc/svg/YP6.svg) | YP6 | Name: | 2-(3-fluoranylphenoxy)-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamide | Formula: | C16 H12 F N3 O2 S | SMILES: | Fc1cccc(OCC(=O)Nc2scc(n2)c3ccccn3)c1 | InChi: | InChI=1S/C16H12FN3O2S/c17-11-4-3-5-12(8-11)22-9-15(21)20-16-19-14(10-23-16)13-6-1-2-7-18-13/h1-8,10H,9H2,(H,19,20,21) | Definition date: | 2017-01-27 | Last modified: | 2017-10-20 | Release date: | 2017-10-25 | Identifier: | 2-(3-fluoranylphenoxy)-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamide |
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![CQ7 CQ7](https://data.pdbj.org/pdbjplus/data/cc/svg/CQ7.svg) | CQ7 | Name: | 4-{[4-(cyclopentyloxy)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}-3-methoxy-N-methylbenzamide | Formula: | C28 H28 N6 O4 | SMILES: | Cc1nc2c(o1)cc(cc2)c3cnc5c3c(nc(Nc4c(OC)cc(cc4)C(NC)=O)n5)OC6CCCC6 | InChi: | InChI=1S/C28H28N6O4/c1-15-31-21-10-8-16(12-23(21)37-15)19-14-30-25-24(19)27(38-18-6-4-5-7-18)34-28(33-25)32-20-11-9-17(26(35)29-2)13-22(20)36-3/h8-14,18H,4-7H2,1-3H3,(H,29,35)(H2,30,32,33,34) | Definition date: | 2017-09-28 | Last modified: | 2017-10-20 | Release date: | 2017-10-25 | Identifier: | 4-{[4-(cyclopentyloxy)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}-3-methoxy-N-methylbenzamide |
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![6XT 6XT](https://data.pdbj.org/pdbjplus/data/cc/svg/6XT.svg) | 6XT | Name: | ~{N}-[5-[[7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]ethanamide | Formula: | C18 H20 N6 O | SMILES: | CC(=O)Nc1cc(Nc2cc(NC3CC3)n4nccc4n2)ccc1C | InChi: | InChI=1S/C18H20N6O/c1-11-3-4-14(9-15(11)20-12(2)25)21-16-10-18(22-13-5-6-13)24-17(23-16)7-8-19-24/h3-4,7-10,13,22H,5-6H2,1-2H3,(H,20,25)(H,21,23) | Definition date: | 2016-07-19 | Last modified: | 2017-10-20 | Release date: | 2017-10-25 | Identifier: | ~{N}-[5-[[7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]ethanamide |
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![N26 N26](https://data.pdbj.org/pdbjplus/data/cc/svg/N26.svg) | N26 | Name: | naphthalene-2,6-diyl bis[dihydrogen (phosphate)] | Formula: | C10 H10 O8 P2 | SMILES: | O(P(O)(O)=O)c2cc1ccc(cc1cc2)OP(O)(=O)O | InChi: | InChI=1S/C10H10O8P2/c11-19(12,13)17-9-3-1-7-5-10(18-20(14,15)16)4-2-8(7)6-9/h1-6H,(H2,11,12,13)(H2,14,15,16) | Definition date: | 2016-10-14 | Last modified: | 2017-10-20 | Release date: | 2017-10-25 | Identifier: | naphthalene-2,6-diyl bis[dihydrogen (phosphate)] |
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![79B 79B](https://data.pdbj.org/pdbjplus/data/cc/svg/79B.svg) | 79B | Name: | 11-[(2~{R})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid | Formula: | C33 H34 N4 O2 | SMILES: | OC(=O)CCCCCCCCC#Cc1ccc2C[CH](Cc2c1)Nc3nc(nc4ccccc34)c5cccnc5 | InChi: | InChI=1S/C33H34N4O2/c38-31(39)16-8-6-4-2-1-3-5-7-12-24-17-18-25-21-28(22-27(25)20-24)35-33-29-14-9-10-15-30(29)36-32(37-33)26-13-11-19-34-23-26/h9-11,13-15,17-20,23,28H,1-6,8,16,21-22H2,(H,38,39)(H,35,36,37)/t28-/m1/s1 | Definition date: | 2016-09-15 | Last modified: | 2017-10-20 | Release date: | 2017-10-25 | Identifier: | 11-[(2~{R})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid |
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![7A0 7A0](https://data.pdbj.org/pdbjplus/data/cc/svg/7A0.svg) | 7A0 | Name: | [(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-5-[[[4-[6-(ethylamino)-5-(2-piperidin-1-ylethylcarbamoyl)pyridin-2-yl]-2-fluoranyl-phenyl]carbamoylamino]methyl]pyridin-1-ium-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate | Formula: | C33 H45 F N8 O9 P | SMILES: | CCNc1nc(ccc1C(=O)NCCN2CCCCC2)c3ccc(NC(=O)NCc4ccc(N)[n+](c4)[CH]5O[CH](CO[P](O)(O)=O)[CH](O)[CH]5O)c(F)c3 | InChi: | InChI=1S/C33H44FN8O9P/c1-2-36-30-22(31(45)37-12-15-41-13-4-3-5-14-41)8-10-24(39-30)21-7-9-25(23(34)16-21)40-33(46)38-17-20-6-11-27(35)42(18-20)32-29(44)28(43)26(51-32)19-50-52(47,48)49/h6-11,16,18,26,28-29,32,35,43-44H,2-5,12-15,17,19H2,1H3,(H6,36,37,38,39,40,45,46,47,48,49)/p+1/t26-,28-,29-,32-/m1/s1 | Definition date: | 2016-09-20 | Last modified: | 2017-10-20 | Release date: | 2017-10-25 | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-5-[[[4-[6-(ethylamino)-5-(2-piperidin-1-ylethylcarbamoyl)pyridin-2-yl]-2-fluoranyl-phenyl]carbamoylamino]methyl]pyridin-1-ium-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
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