![OQG OQG](https://data.pdbj.org/pdbjplus/data/cc/svg/OQG.svg) | OQG | Name: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate | Formula: | C32 H43 N3 O8 | SMILES: | c1(ccccc1)CC(C(CC(NC(OC2C3C(OC2)OCC3)=O)Cc4ccccc4)O)NC(=O)C(C(C)C)NC(OC)=O | InChi: | InChI=1S/C32H43N3O8/c1-20(2)28(35-31(38)40-3)29(37)34-25(17-22-12-8-5-9-13-22)26(36)18-23(16-21-10-6-4-7-11-21)33-32(39)43-27-19-42-30-24(27)14-15-41-30/h4-13,20,23-28,30,36H,14-19H2,1-3H3,(H,33,39)(H,34,37)(H,35,38)/t23-,24-,25-,26-,27-,28-,30+/m0/s1 | Definition date: | 2019-07-02 | Last modified: | 2020-06-26 | Release date: | 2020-07-01 | Identifier: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate |
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![OQP OQP](https://data.pdbj.org/pdbjplus/data/cc/svg/OQP.svg) | OQP | Name: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S,5S)-3-hydroxy-5-({1-[(methoxycarbonyl)amino]cyclopentane-1-carbonyl}amino)-1,6-diphenylhexan-2-yl]carbamate | Formula: | C33 H43 N3 O8 | SMILES: | C2(C1CCOC1OC2)OC(=O)NC(Cc3ccccc3)C(CC(Cc4ccccc4)NC(C5(CCCC5)NC(=O)OC)=O)O | InChi: | InChI=1S/C33H43N3O8/c1-41-32(40)36-33(15-8-9-16-33)30(38)34-24(18-22-10-4-2-5-11-22)20-27(37)26(19-23-12-6-3-7-13-23)35-31(39)44-28-21-43-29-25(28)14-17-42-29/h2-7,10-13,24-29,37H,8-9,14-21H2,1H3,(H,34,38)(H,35,39)(H,36,40)/t24-,25-,26-,27-,28-,29+/m0/s1 | Definition date: | 2019-07-02 | Last modified: | 2020-06-26 | Release date: | 2020-07-01 | Identifier: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S,5S)-3-hydroxy-5-({1-[(methoxycarbonyl)amino]cyclopentane-1-carbonyl}amino)-1,6-diphenylhexan-2-yl]carbamate |
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![OQV OQV](https://data.pdbj.org/pdbjplus/data/cc/svg/OQV.svg) | OQV | Name: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S,5S)-3-hydroxy-5-{[N-(methoxycarbonyl)-3-methyl-L-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate | Formula: | C33 H45 N3 O8 | SMILES: | c1(ccccc1)CC(C(CC(Cc2ccccc2)NC(C(C(C)(C)C)NC(OC)=O)=O)O)NC(OC3C4C(OC3)OCC4)=O | InChi: | InChI=1S/C33H45N3O8/c1-33(2,3)28(36-31(39)41-4)29(38)34-23(17-21-11-7-5-8-12-21)19-26(37)25(18-22-13-9-6-10-14-22)35-32(40)44-27-20-43-30-24(27)15-16-42-30/h5-14,23-28,30,37H,15-20H2,1-4H3,(H,34,38)(H,35,40)(H,36,39)/t23-,24-,25-,26-,27-,28+,30+/m0/s1 | Definition date: | 2019-07-02 | Last modified: | 2020-06-26 | Release date: | 2020-07-01 | Identifier: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S,5S)-3-hydroxy-5-{[N-(methoxycarbonyl)-3-methyl-L-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate |
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![OQY OQY](https://data.pdbj.org/pdbjplus/data/cc/svg/OQY.svg) | OQY | Name: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-3-methyl-L-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate | Formula: | C33 H45 N3 O8 | SMILES: | c1(ccccc1)CC(C(CC(NC(OC2C3C(OC2)OCC3)=O)Cc4ccccc4)O)NC(=O)C(C(C)(C)C)NC(OC)=O | InChi: | InChI=1S/C33H45N3O8/c1-33(2,3)28(36-31(39)41-4)29(38)35-25(18-22-13-9-6-10-14-22)26(37)19-23(17-21-11-7-5-8-12-21)34-32(40)44-27-20-43-30-24(27)15-16-42-30/h5-14,23-28,30,37H,15-20H2,1-4H3,(H,34,40)(H,35,38)(H,36,39)/t23-,24-,25-,26-,27-,28+,30+/m0/s1 | Definition date: | 2019-07-02 | Last modified: | 2020-06-26 | Release date: | 2020-07-01 | Identifier: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-3-methyl-L-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate |
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![OR1 OR1](https://data.pdbj.org/pdbjplus/data/cc/svg/OR1.svg) | OR1 | Name: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-5-{[(2,6-dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate | Formula: | C35 H42 N2 O7 | SMILES: | C(C(C(CC(NC(OC1C2C(OC1)OCC2)=O)Cc3ccccc3)O)NC(=O)COc4c(cccc4C)C)c5ccccc5 | InChi: | InChI=1S/C35H42N2O7/c1-23-10-9-11-24(2)33(23)42-22-32(39)37-29(19-26-14-7-4-8-15-26)30(38)20-27(18-25-12-5-3-6-13-25)36-35(40)44-31-21-43-34-28(31)16-17-41-34/h3-15,27-31,34,38H,16-22H2,1-2H3,(H,36,40)(H,37,39)/t27-,28-,29-,30-,31-,34+/m0/s1 | Definition date: | 2019-07-02 | Last modified: | 2020-06-26 | Release date: | 2020-07-01 | Identifier: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-5-{[(2,6-dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate |
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![ORJ ORJ](https://data.pdbj.org/pdbjplus/data/cc/svg/ORJ.svg) | ORJ | Name: | 2-{4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl}-N-methylacetamide | Formula: | C16 H13 F N2 O3 S | SMILES: | n2c(Oc1cc(c(CC(NC)=O)cc1)O)sc3c2ccc(c3)F | InChi: | InChI=1S/C16H13FN2O3S/c1-18-15(21)6-9-2-4-11(8-13(9)20)22-16-19-12-5-3-10(17)7-14(12)23-16/h2-5,7-8,20H,6H2,1H3,(H,18,21) | Definition date: | 2019-07-03 | Last modified: | 2020-06-26 | Release date: | 2020-07-01 | Identifier: | 2-{4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl}-N-methylacetamide |
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![ORV ORV](https://data.pdbj.org/pdbjplus/data/cc/svg/ORV.svg) | ORV | Name: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-alanyl]amino}-1,6-diphenylhexan-2-yl]carbamate | Formula: | C30 H39 N3 O8 | SMILES: | c1(ccccc1)CC(C(CC(NC(OC2C3C(OC2)OCC3)=O)Cc4ccccc4)O)NC(=O)C(C)NC(OC)=O | InChi: | InChI=1S/C30H39N3O8/c1-19(31-29(36)38-2)27(35)33-24(16-21-11-7-4-8-12-21)25(34)17-22(15-20-9-5-3-6-10-20)32-30(37)41-26-18-40-28-23(26)13-14-39-28/h3-12,19,22-26,28,34H,13-18H2,1-2H3,(H,31,36)(H,32,37)(H,33,35)/t19-,22-,23-,24-,25-,26-,28+/m0/s1 | Definition date: | 2019-07-03 | Last modified: | 2020-06-26 | Release date: | 2020-07-01 | Identifier: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-alanyl]amino}-1,6-diphenylhexan-2-yl]carbamate |
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![OWB OWB](https://data.pdbj.org/pdbjplus/data/cc/svg/OWB.svg) | OWB | Name: | ~{N}-[3-[6-[(3~{R})-piperidin-3-yl]-2-pyridin-4-yl-pyrimidin-4-yl]oxyphenyl]ethanamide | Formula: | C22 H23 N5 O2 | SMILES: | CC(=O)Nc1cccc(Oc2cc(nc(n2)c3ccncc3)[CH]4CCCNC4)c1 | InChi: | InChI=1S/C22H23N5O2/c1-15(28)25-18-5-2-6-19(12-18)29-21-13-20(17-4-3-9-24-14-17)26-22(27-21)16-7-10-23-11-8-16/h2,5-8,10-13,17,24H,3-4,9,14H2,1H3,(H,25,28)/t17-/m1/s1 | Definition date: | 2020-04-06 | Last modified: | 2020-06-26 | Release date: | 2020-07-01 | Identifier: | ~{N}-[3-[6-[(3~{R})-piperidin-3-yl]-2-pyridin-4-yl-pyrimidin-4-yl]oxyphenyl]ethanamide |
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![P9E P9E](https://data.pdbj.org/pdbjplus/data/cc/svg/P9E.svg) | P9E | Name: | 2-sulfanylidene-3~{H}-1,3-benzoxazole-5-sulfonamide | Formula: | C7 H6 N2 O3 S2 | SMILES: | N[S](=O)(=O)c1ccc2OC(=S)Nc2c1 | InChi: | InChI=1S/C7H6N2O3S2/c8-14(10,11)4-1-2-6-5(3-4)9-7(13)12-6/h1-3H,(H,9,13)(H2,8,10,11) | Definition date: | 2020-04-18 | Last modified: | 2020-06-26 | Release date: | 2020-07-01 | Identifier: | 2-sulfanylidene-3~{H}-1,3-benzoxazole-5-sulfonamide |
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![PQ8 PQ8](https://data.pdbj.org/pdbjplus/data/cc/svg/PQ8.svg) | PQ8 | Name: | 4-[5-[2-(2-hydroxyethyloxy)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-oxidanyl-benzoic acid | Formula: | C22 H26 N4 O7 | SMILES: | CC(C)(C)OC(=O)N(CCOCCO)c1ccn2ncc(c3ccc(C(O)=O)c(O)c3)c2n1 | InChi: | InChI=1S/C22H26N4O7/c1-22(2,3)33-21(31)25(8-10-32-11-9-27)18-6-7-26-19(24-18)16(13-23-26)14-4-5-15(20(29)30)17(28)12-14/h4-7,12-13,27-28H,8-11H2,1-3H3,(H,29,30) | Definition date: | 2020-04-27 | Last modified: | 2020-06-26 | Release date: | 2020-07-01 | Identifier: | 4-[5-[2-(2-hydroxyethyloxy)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-oxidanyl-benzoic acid |
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![Q2M Q2M](https://data.pdbj.org/pdbjplus/data/cc/svg/Q2M.svg) | Q2M | Name: | 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(thiophen-2-yl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine | Formula: | C23 H32 N8 O5 S | SMILES: | c2nc1n(cnc1c(n2)N)C5C(C(O)C(CN(CCC(C(=O)O)N)CC3CN(C3)Cc4cccs4)O5)O | InChi: | InChI=1S/C23H32N8O5S/c24-15(23(34)35)3-4-29(6-13-7-30(8-13)9-14-2-1-5-37-14)10-16-18(32)19(33)22(36-16)31-12-28-17-20(25)26-11-27-21(17)31/h1-2,5,11-13,15-16,18-19,22,32-33H,3-4,6-10,24H2,(H,34,35)(H2,25,26,27)/t15-,16+,18+,19+,22+/m0/s1 | Definition date: | 2019-09-11 | Last modified: | 2020-06-26 | Release date: | 2020-07-01 | Identifier: | 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(thiophen-2-yl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine |
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![Q2P Q2P](https://data.pdbj.org/pdbjplus/data/cc/svg/Q2P.svg) | Q2P | Name: | 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(3-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine | Formula: | C25 H33 Cl N8 O5 | SMILES: | c2nc1n(cnc1c(N)n2)C5C(C(O)C(CN(CC3CN(C3)Cc4cccc(c4)Cl)CCC(C(O)=O)N)O5)O | InChi: | InChI=1S/C25H33ClN8O5/c26-16-3-1-2-14(6-16)7-33-9-15(10-33)8-32(5-4-17(27)25(37)38)11-18-20(35)21(36)24(39-18)34-13-31-19-22(28)29-12-30-23(19)34/h1-3,6,12-13,15,17-18,20-21,24,35-36H,4-5,7-11,27H2,(H,37,38)(H2,28,29,30)/t17-,18+,20+,21+,24+/m0/s1 | Definition date: | 2019-09-11 | Last modified: | 2020-06-26 | Release date: | 2020-07-01 | Identifier: | 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(3-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine |
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![Q2V Q2V](https://data.pdbj.org/pdbjplus/data/cc/svg/Q2V.svg) | Q2V | Name: | 5'-([(3S)-3-amino-3-carboxypropyl]{[1-(3,3-diphenylpropyl)azetidin-3-yl]methyl}amino)-5'-deoxyadenosine | Formula: | C33 H42 N8 O5 | SMILES: | n6cnc5n(C4OC(CN(CC3CN(CCC(c1ccccc1)c2ccccc2)C3)CCC(C(=O)O)N)C(C4O)O)cnc5c6N | InChi: | InChI=1S/C33H42N8O5/c34-25(33(44)45)12-14-40(18-26-28(42)29(43)32(46-26)41-20-38-27-30(35)36-19-37-31(27)41)17-21-15-39(16-21)13-11-24(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-10,19-21,24-26,28-29,32,42-43H,11-18,34H2,(H,44,45)(H2,35,36,37)/t25-,26+,28+,29+,32+/m0/s1 | Definition date: | 2019-09-11 | Last modified: | 2020-06-26 | Release date: | 2020-07-01 | Identifier: | 5'-([(3S)-3-amino-3-carboxypropyl]{[1-(3,3-diphenylpropyl)azetidin-3-yl]methyl}amino)-5'-deoxyadenosine |
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![Q34 Q34](https://data.pdbj.org/pdbjplus/data/cc/svg/Q34.svg) | Q34 | Name: | 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(4-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine | Formula: | C25 H33 Cl N8 O5 | SMILES: | O=C(O)C(N)CCN(CC1CN(C1)Cc2ccc(cc2)Cl)CC3C(O)C(O)C(O3)n5c4ncnc(c4nc5)N | InChi: | InChI=1S/C25H33ClN8O5/c26-16-3-1-14(2-4-16)7-33-9-15(10-33)8-32(6-5-17(27)25(37)38)11-18-20(35)21(36)24(39-18)34-13-31-19-22(28)29-12-30-23(19)34/h1-4,12-13,15,17-18,20-21,24,35-36H,5-11,27H2,(H,37,38)(H2,28,29,30)/t17-,18+,20+,21+,24+/m0/s1 | Definition date: | 2019-09-11 | Last modified: | 2020-06-26 | Release date: | 2020-07-01 | Identifier: | 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(4-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine |
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![QDE QDE](https://data.pdbj.org/pdbjplus/data/cc/svg/QDE.svg) | QDE | Name: | ~{N}-[5-[6-[(dimethylamino)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxy-pyridin-3-yl]methanesulfonamide | Formula: | C18 H24 N4 O4 S | SMILES: | COc1ncc(cc1N[S](C)(=O)=O)N2CCOc3ccc(CN(C)C)cc23 | InChi: | InChI=1S/C18H24N4O4S/c1-21(2)12-13-5-6-17-16(9-13)22(7-8-26-17)14-10-15(20-27(4,23)24)18(25-3)19-11-14/h5-6,9-11,20H,7-8,12H2,1-4H3 | Definition date: | 2020-06-08 | Last modified: | 2020-06-26 | Release date: | 2020-07-01 | Identifier: | ~{N}-[5-[6-[(dimethylamino)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxy-pyridin-3-yl]methanesulfonamide |
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![QGS QGS](https://data.pdbj.org/pdbjplus/data/cc/svg/QGS.svg) | QGS | Name: | 1-[(2S)-2-{3-[(3S)-3-amino-2,3-dihydro-1-benzofuran-5-yl]-5-(propan-2-yl)phenyl}-2-hydroxyethyl]-1H-indole-7-carboxylic acid | Formula: | C28 H28 N2 O4 | SMILES: | c1n(c2c(cccc2c1)C(O)=O)CC(c5cc(c4ccc3c(C(CO3)N)c4)cc(c5)C(C)C)O | InChi: | InChI=1S/C28H28N2O4/c1-16(2)19-10-20(18-6-7-26-23(13-18)24(29)15-34-26)12-21(11-19)25(31)14-30-9-8-17-4-3-5-22(27(17)30)28(32)33/h3-13,16,24-25,31H,14-15,29H2,1-2H3,(H,32,33)/t24-,25-/m1/s1 | Definition date: | 2019-10-29 | Last modified: | 2020-06-26 | Release date: | 2020-07-01 | Identifier: | 1-[(2S)-2-{3-[(3S)-3-amino-2,3-dihydro-1-benzofuran-5-yl]-5-(propan-2-yl)phenyl}-2-hydroxyethyl]-1H-indole-7-carboxylic acid |
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![G6R G6R](https://data.pdbj.org/pdbjplus/data/cc/svg/G6R.svg) | G6R | Name: | N-[(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]-2-[(3S,3aR,5S,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl]acetamide | Formula: | C34 H42 F2 N4 O6 S2 | SMILES: | c7c(CC(C(CN(CC(C)C)S(c1ccc2c(c1)sc(n2)NC3CC3)(=O)=O)O)NC(CC6C5CC4C6COC4OC5)=O)cc(cc7F)F | InChi: | InChI=1S/C34H42F2N4O6S2/c1-18(2)14-40(48(43,44)24-5-6-28-31(12-24)47-34(39-28)37-23-3-4-23)15-30(41)29(9-19-7-21(35)11-22(36)8-19)38-32(42)13-25-20-10-26-27(25)17-46-33(26)45-16-20/h5-8,11-12,18,20,23,25-27,29-30,33,41H,3-4,9-10,13-17H2,1-2H3,(H,37,39)(H,38,42)/t20-,25+,26-,27+,29+,30-,33+/m1/s1 | Definition date: | 2019-12-31 | Last modified: | 2020-06-26 | Release date: | 2020-07-01 | Identifier: | N-[(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]-2-[(3S,3aR,5S,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl]acetamide |
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![J1X J1X](https://data.pdbj.org/pdbjplus/data/cc/svg/J1X.svg) | J1X | Name: | 3-(1H-pyrazol-1-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide | Formula: | C18 H12 F3 N7 O | SMILES: | C(=O)(c1cc(C(F)(F)F)cc(c1)n2cccn2)Nc3cccc(c3)c4nnnn4 | InChi: | InChI=1S/C18H12F3N7O/c19-18(20,21)13-7-12(9-15(10-13)28-6-2-5-22-28)17(29)23-14-4-1-3-11(8-14)16-24-26-27-25-16/h1-10H,(H,23,29)(H,24,25,26,27) | Definition date: | 2019-04-24 | Last modified: | 2020-06-26 | Release date: | 2020-07-01 | Identifier: | 3-(1H-pyrazol-1-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide |
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![K3Q K3Q](https://data.pdbj.org/pdbjplus/data/cc/svg/K3Q.svg) | K3Q | Name: | 3,6-O-dimethyl-D-glucose | Formula: | C8 H16 O6 | SMILES: | COC[CH]1O[CH](O)[CH](O)[CH](OC)[CH]1O | InChi: | InChI=1S/C8H16O6/c1-12-3-4-5(9)7(13-2)6(10)8(11)14-4/h4-11H,3H2,1-2H3/t4-,5-,6-,7+,8-/m1/s1 | Definition date: | 2019-04-17 | Last modified: | 2020-06-26 | Release date: | 2020-07-01 | Identifier: | (2~{R},3~{R},4~{S},5~{R},6~{R})-4-methoxy-6-(methoxymethyl)oxane-2,3,5-triol |
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![FN0 FN0](https://data.pdbj.org/pdbjplus/data/cc/svg/FN0.svg) | FN0 | Name: | (3S)-5,7-ditert-butyl-3-oxidanyl-3-(trifluoromethyl)-1-benzofuran-2-one | Formula: | C17 H21 F3 O3 | SMILES: | CC(C)(C)c1cc(c2OC(=O)[C](O)(c2c1)C(F)(F)F)C(C)(C)C | InChi: | InChI=1S/C17H21F3O3/c1-14(2,3)9-7-10(15(4,5)6)12-11(8-9)16(22,13(21)23-12)17(18,19)20/h7-8,22H,1-6H3/t16-/m0/s1 | Definition date: | 2020-06-03 | Last modified: | 2020-06-26 | Release date: | 2020-07-01 | Identifier: | (3~{S})-5,7-di~{tert}-butyl-3-oxidanyl-3-(trifluoromethyl)-1-benzofuran-2-one |
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![D6F D6F](https://data.pdbj.org/pdbjplus/data/cc/svg/D6F.svg) | D6F | Name: | 4,4',4''-(nitrilotris(benzene-4,1-diyl))tris(1-ethylpyridin-1-ium) iodide | Formula: | C39 H39 N4 | SMILES: | CC[n+]1ccc(cc1)c2ccc(cc2)N(c3ccc(cc3)c4cc[n+](CC)cc4)c5ccc(cc5)c6cc[n+](CC)cc6 | InChi: | InChI=1S/C39H39N4/c1-4-40-25-19-34(20-26-40)31-7-13-37(14-8-31)43(38-15-9-32(10-16-38)35-21-27-41(5-2)28-22-35)39-17-11-33(12-18-39)36-23-29-42(6-3)30-24-36/h7-30H,4-6H2,1-3H3/q+3 | Synonyms: | 4-(1-ethylpyridin-1-ium-4-yl)-N,N-bis[4-(1-ethylpyridin-1-ium-4-yl)phenyl]aniline | Definition date: | 2019-07-11 | Last modified: | 2020-06-26 | Release date: | 2020-07-01 | Identifier: | 4-(1-ethylpyridin-1-ium-4-yl)-~{N},~{N}-bis[4-(1-ethylpyridin-1-ium-4-yl)phenyl]aniline |
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![M83 M83](https://data.pdbj.org/pdbjplus/data/cc/svg/M83.svg) | M83 | Name: | 5-(3-cyanophenyl)furan-2-carboxylic acid | Formula: | C12 H7 N O3 | SMILES: | OC(=O)c1oc(cc1)c2cccc(c2)C#N | InChi: | InChI=1S/C12H7NO3/c13-7-8-2-1-3-9(6-8)10-4-5-11(16-10)12(14)15/h1-6H,(H,14,15) | Definition date: | 2020-06-05 | Last modified: | 2020-06-26 | Release date: | 2020-07-01 | Identifier: | 5-(3-cyanophenyl)furan-2-carboxylic acid |
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![MH5 MH5](https://data.pdbj.org/pdbjplus/data/cc/svg/MH5.svg) | MH5 | Name: | 3-[(5-methylthiophen-2-yl)methylamino]benzoic acid | Formula: | C13 H13 N O2 S | SMILES: | Cc1sc(CNc2cccc(c2)C(O)=O)cc1 | InChi: | InChI=1S/C13H13NO2S/c1-9-5-6-12(17-9)8-14-11-4-2-3-10(7-11)13(15)16/h2-7,14H,8H2,1H3,(H,15,16) | Definition date: | 2019-10-14 | Last modified: | 2020-06-26 | Release date: | 2020-07-01 | Identifier: | 3-[(5-methylthiophen-2-yl)methylamino]benzoic acid |
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![EY1 EY1](https://data.pdbj.org/pdbjplus/data/cc/svg/EY1.svg) | EY1 | Name: | 2-[(4H-1,2,4-triazol-3-yl)sulfanyl]-N-{4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]phenyl}acetamide | Formula: | C20 H24 N4 O S | SMILES: | c1cc(ccc1C24CC3CC(CC(C2)C3)C4)NC(=O)CSc5nncn5 | InChi: | InChI=1S/C20H24N4OS/c25-18(11-26-19-21-12-22-24-19)23-17-3-1-16(2-4-17)20-8-13-5-14(9-20)7-15(6-13)10-20/h1-4,12-15H,5-11H2,(H,23,25)(H,21,22,24)/t13-,14+,15-,20- | Definition date: | 2018-02-12 | Last modified: | 2020-06-26 | Release date: | 2020-07-01 | Identifier: | 2-[(4H-1,2,4-triazol-3-yl)sulfanyl]-N-{4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]phenyl}acetamide |
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![MZV MZV](https://data.pdbj.org/pdbjplus/data/cc/svg/MZV.svg) | MZV | Name: | 3-(pyridin-2-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide | Formula: | C20 H13 F3 N6 O | SMILES: | c3(cc(cc(C(Nc2cc(c1nnnn1)ccc2)=O)c3)C(F)(F)F)c4ncccc4 | InChi: | InChI=1S/C20H13F3N6O/c21-20(22,23)15-9-13(17-6-1-2-7-24-17)8-14(10-15)19(30)25-16-5-3-4-12(11-16)18-26-28-29-27-18/h1-11H,(H,25,30)(H,26,27,28,29) | Definition date: | 2019-04-24 | Last modified: | 2020-06-26 | Release date: | 2020-07-01 | Identifier: | 3-(pyridin-2-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide |
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