![QJB QJB](https://data.pdbj.org/pdbjplus/data/cc/svg/QJB.svg) | QJB | Name: | 2-[(2~{S},3~{S},4~{R},4~{a}~{S},10~{a}~{S})-2-methyl-3,4-bis(oxidanyl)-3,4,4~{a},10~{a}-tetrahydro-2~{H}-pyrano[2,3-b][1,4]benzoxathiin-7-yl]-~{N}-(3-oxidanylpropyl)ethanamide | Formula: | C17 H23 N O6 S | SMILES: | C[CH]1O[CH]2Oc3ccc(CC(=O)NCCCO)cc3S[CH]2[CH](O)[CH]1O | InChi: | InChI=1S/C17H23NO6S/c1-9-14(21)15(22)16-17(23-9)24-11-4-3-10(7-12(11)25-16)8-13(20)18-5-2-6-19/h3-4,7,9,14-17,19,21-22H,2,5-6,8H2,1H3,(H,18,20)/t9-,14+,15+,16-,17-/m0/s1 | Definition date: | 2020-06-17 | Last modified: | 2020-10-23 | Release date: | 2020-10-28 | Identifier: | 2-[(2~{S},3~{S},4~{R},4~{a}~{S},10~{a}~{S})-2-methyl-3,4-bis(oxidanyl)-3,4,4~{a},10~{a}-tetrahydro-2~{H}-pyrano[2,3-b][1,4]benzoxathiin-7-yl]-~{N}-(3-oxidanylpropyl)ethanamide |
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![C9L C9L](https://data.pdbj.org/pdbjplus/data/cc/svg/C9L.svg) | C9L | Name: | 5-ethyl-N4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine | Formula: | C12 H21 N5 | SMILES: | CCc1c(NC)nc(N)nc1N2CCCCC2 | InChi: | InChI=1S/C12H21N5/c1-3-9-10(14-2)15-12(13)16-11(9)17-7-5-4-6-8-17/h3-8H2,1-2H3,(H3,13,14,15,16) | Definition date: | 2019-04-18 | Last modified: | 2020-10-23 | Release date: | 2020-10-28 | Identifier: | 5-ethyl-~{N}4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine |
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![CEU CEU](https://data.pdbj.org/pdbjplus/data/cc/svg/CEU.svg) | CEU | Name: | N4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine | Formula: | C10 H18 N6 | SMILES: | CNc1cc(nc(N)n1)N2CCN(C)CC2 | InChi: | InChI=1S/C10H18N6/c1-12-8-7-9(14-10(11)13-8)16-5-3-15(2)4-6-16/h7H,3-6H2,1-2H3,(H3,11,12,13,14) | Definition date: | 2019-04-24 | Last modified: | 2020-10-23 | Release date: | 2020-10-28 | Identifier: | ~{N}4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine |
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![CG0 CG0](https://data.pdbj.org/pdbjplus/data/cc/svg/CG0.svg) | CG0 | Name: | N4-cyclopropyl-5-ethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine | Formula: | C14 H24 N6 | SMILES: | CCc1c(NC2CC2)nc(N)nc1N3CCN(C)CC3 | InChi: | InChI=1S/C14H24N6/c1-3-11-12(16-10-4-5-10)17-14(15)18-13(11)20-8-6-19(2)7-9-20/h10H,3-9H2,1-2H3,(H3,15,16,17,18) | Definition date: | 2019-04-24 | Last modified: | 2020-10-23 | Release date: | 2020-10-28 | Identifier: | ~{N}4-cyclopropyl-5-ethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine |
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![CGX CGX](https://data.pdbj.org/pdbjplus/data/cc/svg/CGX.svg) | CGX | Name: | N4-cyclopropyl-5-ethyl-6-piperidin-1-yl-pyrimidine-2,4-diamine | Formula: | C14 H23 N5 | SMILES: | CCc1c(NC2CC2)nc(N)nc1N3CCCCC3 | InChi: | InChI=1S/C14H23N5/c1-2-11-12(16-10-6-7-10)17-14(15)18-13(11)19-8-4-3-5-9-19/h10H,2-9H2,1H3,(H3,15,16,17,18) | Definition date: | 2019-04-24 | Last modified: | 2020-10-23 | Release date: | 2020-10-28 | Identifier: | ~{N}4-cyclopropyl-5-ethyl-6-piperidin-1-yl-pyrimidine-2,4-diamine |
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![CJ0 CJ0](https://data.pdbj.org/pdbjplus/data/cc/svg/CJ0.svg) | CJ0 | Name: | N4-methyl-6-morpholin-4-yl-pyrimidine-2,4-diamine | Formula: | C9 H15 N5 O | SMILES: | CNc1cc(nc(N)n1)N2CCOCC2 | InChi: | InChI=1S/C9H15N5O/c1-11-7-6-8(13-9(10)12-7)14-2-4-15-5-3-14/h6H,2-5H2,1H3,(H3,10,11,12,13) | Definition date: | 2019-04-24 | Last modified: | 2020-10-23 | Release date: | 2020-10-28 | Identifier: | ~{N}4-methyl-6-morpholin-4-yl-pyrimidine-2,4-diamine |
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![CJ6 CJ6](https://data.pdbj.org/pdbjplus/data/cc/svg/CJ6.svg) | CJ6 | Name: | N4-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine | Formula: | C12 H20 N6 | SMILES: | CN1CCN(CC1)c2cc(NC3CC3)nc(N)n2 | InChi: | InChI=1S/C12H20N6/c1-17-4-6-18(7-5-17)11-8-10(14-9-2-3-9)15-12(13)16-11/h8-9H,2-7H2,1H3,(H3,13,14,15,16) | Definition date: | 2019-04-24 | Last modified: | 2020-10-23 | Release date: | 2020-10-28 | Identifier: | ~{N}4-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine |
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![CJ9 CJ9](https://data.pdbj.org/pdbjplus/data/cc/svg/CJ9.svg) | CJ9 | Name: | N4-cyclopropyl-6-piperidin-1-yl-pyrimidine-2,4-diamine | Formula: | C12 H19 N5 | SMILES: | Nc1nc(NC2CC2)cc(n1)N3CCCCC3 | InChi: | InChI=1S/C12H19N5/c13-12-15-10(14-9-4-5-9)8-11(16-12)17-6-2-1-3-7-17/h8-9H,1-7H2,(H3,13,14,15,16) | Definition date: | 2019-04-24 | Last modified: | 2020-10-23 | Release date: | 2020-10-28 | Identifier: | ~{N}4-cyclopropyl-6-piperidin-1-yl-pyrimidine-2,4-diamine |
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![CJF CJF](https://data.pdbj.org/pdbjplus/data/cc/svg/CJF.svg) | CJF | Name: | N4-cyclopropyl-6-morpholin-4-yl-pyrimidine-2,4-diamine | Formula: | C11 H17 N5 O | SMILES: | Nc1nc(NC2CC2)cc(n1)N3CCOCC3 | InChi: | InChI=1S/C11H17N5O/c12-11-14-9(13-8-1-2-8)7-10(15-11)16-3-5-17-6-4-16/h7-8H,1-6H2,(H3,12,13,14,15) | Definition date: | 2019-04-24 | Last modified: | 2020-10-23 | Release date: | 2020-10-28 | Identifier: | ~{N}4-cyclopropyl-6-morpholin-4-yl-pyrimidine-2,4-diamine |
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![CJL CJL](https://data.pdbj.org/pdbjplus/data/cc/svg/CJL.svg) | CJL | Name: | N4-cyclopropyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine | Formula: | C14 H22 N6 O | SMILES: | Nc1nc(NC2CC2)cc(n1)N3CCN(CC3)C4COC4 | InChi: | InChI=1S/C14H22N6O/c15-14-17-12(16-10-1-2-10)7-13(18-14)20-5-3-19(4-6-20)11-8-21-9-11/h7,10-11H,1-6,8-9H2,(H3,15,16,17,18) | Definition date: | 2019-04-24 | Last modified: | 2020-10-23 | Release date: | 2020-10-28 | Identifier: | ~{N}4-cyclopropyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine |
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![CJR CJR](https://data.pdbj.org/pdbjplus/data/cc/svg/CJR.svg) | CJR | Name: | N4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine | Formula: | C12 H20 N6 O | SMILES: | CNc1cc(nc(N)n1)N2CCN(CC2)C3COC3 | InChi: | InChI=1S/C12H20N6O/c1-14-10-6-11(16-12(13)15-10)18-4-2-17(3-5-18)9-7-19-8-9/h6,9H,2-5,7-8H2,1H3,(H3,13,14,15,16) | Definition date: | 2019-04-24 | Last modified: | 2020-10-23 | Release date: | 2020-10-28 | Identifier: | ~{N}4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine |
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![CJU CJU](https://data.pdbj.org/pdbjplus/data/cc/svg/CJU.svg) | CJU | Name: | N4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine | Formula: | C10 H17 N5 | SMILES: | CNc1cc(nc(N)n1)N2CCCCC2 | InChi: | InChI=1S/C10H17N5/c1-12-8-7-9(14-10(11)13-8)15-5-3-2-4-6-15/h7H,2-6H2,1H3,(H3,11,12,13,14) | Definition date: | 2019-04-24 | Last modified: | 2020-10-23 | Release date: | 2020-10-28 | Identifier: | ~{N}4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine |
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![EDX EDX](https://data.pdbj.org/pdbjplus/data/cc/svg/EDX.svg) | EDX | Name: | (2~{S})-6-carbamimidamido-2-(phenylmethoxycarbonylamino)hexanoic acid | Formula: | C15 H22 N4 O4 | SMILES: | NC(=N)NCCCC[CH](NC(=O)OCc1ccccc1)C(O)=O | InChi: | InChI=1S/C15H22N4O4/c16-14(17)18-9-5-4-8-12(13(20)21)19-15(22)23-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,19,22)(H,20,21)(H4,16,17,18)/t12-/m0/s1 | Definition date: | 2019-12-13 | Last modified: | 2020-10-23 | Release date: | 2020-10-28 | Identifier: | (2~{S})-6-carbamimidamido-2-(phenylmethoxycarbonylamino)hexanoic acid |
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![95F 95F](https://data.pdbj.org/pdbjplus/data/cc/svg/95F.svg) | 95F | Name: | 5-ethyl-4-methyl-6-(morpholin-4-yl)pyrimidin-2-amine | Formula: | C11 H18 N4 O | SMILES: | c2(nc(N1CCOCC1)c(c(n2)C)CC)N | InChi: | InChI=1S/C11H18N4O/c1-3-9-8(2)13-11(12)14-10(9)15-4-6-16-7-5-15/h3-7H2,1-2H3,(H2,12,13,14) | Definition date: | 2017-12-22 | Last modified: | 2020-10-23 | Release date: | 2020-10-28 | Identifier: | 5-ethyl-4-methyl-6-(morpholin-4-yl)pyrimidin-2-amine |
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![95L 95L](https://data.pdbj.org/pdbjplus/data/cc/svg/95L.svg) | 95L | Name: | 4-amino-6-fluoroquinoline-3-carbohydrazide | Formula: | C10 H9 F N4 O | SMILES: | NNC(=O)c2cnc1ccc(cc1c2N)F | InChi: | InChI=1S/C10H9FN4O/c11-5-1-2-8-6(3-5)9(12)7(4-14-8)10(16)15-13/h1-4H,13H2,(H2,12,14)(H,15,16) | Definition date: | 2017-12-22 | Last modified: | 2020-10-23 | Release date: | 2020-10-28 | Identifier: | 4-amino-6-fluoroquinoline-3-carbohydrazide |
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![95R 95R](https://data.pdbj.org/pdbjplus/data/cc/svg/95R.svg) | 95R | Name: | (4R)-4-(2-methoxyphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione | Formula: | C16 H17 N O3 | SMILES: | N3C1=C(C(CCC1)=O)C(c2ccccc2OC)CC3=O | InChi: | InChI=1S/C16H17NO3/c1-20-14-8-3-2-5-10(14)11-9-15(19)17-12-6-4-7-13(18)16(11)12/h2-3,5,8,11H,4,6-7,9H2,1H3,(H,17,19)/t11-/m1/s1 | Definition date: | 2017-12-22 | Last modified: | 2020-10-23 | Release date: | 2020-10-28 | Identifier: | (4R)-4-(2-methoxyphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione |
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![E4X E4X](https://data.pdbj.org/pdbjplus/data/cc/svg/E4X.svg) | E4X | Name: | 4-bromo-N-((1S,2R)-2-(naphthalen-1-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)benzenesulfonamide | Formula: | C21 H18 Br N3 O4 S | SMILES: | C[CH]([CH](N[S](=O)(=O)c1ccc(Br)cc1)C2=NNC(=O)O2)c3cccc4ccccc34 | InChi: | InChI=1S/C21H18BrN3O4S/c1-13(17-8-4-6-14-5-2-3-7-18(14)17)19(20-23-24-21(26)29-20)25-30(27,28)16-11-9-15(22)10-12-16/h2-13,19,25H,1H3,(H,24,26)/t13-,19+/m1/s1 | Definition date: | 2019-10-16 | Last modified: | 2020-10-23 | Release date: | 2020-10-28 | Identifier: | 4-bromanyl-~{N}-[(1~{S},2~{R})-2-naphthalen-1-yl-1-(2-oxidanylidene-3~{H}-1,3,4-oxadiazol-5-yl)propyl]benzenesulfonamide |
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![N9Z N9Z](https://data.pdbj.org/pdbjplus/data/cc/svg/N9Z.svg) | N9Z | Name: | 2-[4-[(1-methylcyclopropyl)amino]-2-[(1-methylpyrazol-4-yl)amino]pyrido[3,2-d]pyrimidin-6-yl]ethanenitrile | Formula: | C17 H18 N8 | SMILES: | Cn1cc(Nc2nc(NC3(C)CC3)c4nc(CC#N)ccc4n2)cn1 | InChi: | InChI=1S/C17H18N8/c1-17(6-7-17)24-15-14-13(4-3-11(20-14)5-8-18)22-16(23-15)21-12-9-19-25(2)10-12/h3-4,9-10H,5-7H2,1-2H3,(H2,21,22,23,24) | Definition date: | 2019-11-21 | Last modified: | 2020-10-23 | Release date: | 2020-10-28 | Identifier: | 2-[4-[(1-methylcyclopropyl)amino]-2-[(1-methylpyrazol-4-yl)amino]pyrido[3,2-d]pyrimidin-6-yl]ethanenitrile |
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![NB5 NB5](https://data.pdbj.org/pdbjplus/data/cc/svg/NB5.svg) | NB5 | Name: | 7-fluoranyl-~{N}-[1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]-4-(1-methylcyclopropyl)oxy-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine | Formula: | C26 H28 F N9 O | SMILES: | CN1CC2(CC(C2)n3cc(Nc4nc(OC5(C)CC5)c6nc(c(F)cc6n4)c7cnc(C)nc7)cn3)C1 | InChi: | InChI=1S/C26H28FN9O/c1-15-28-9-16(10-29-15)21-19(27)6-20-22(33-21)23(37-25(2)4-5-25)34-24(32-20)31-17-11-30-36(12-17)18-7-26(8-18)13-35(3)14-26/h6,9-12,18H,4-5,7-8,13-14H2,1-3H3,(H,31,32,34) | Definition date: | 2019-11-21 | Last modified: | 2020-10-23 | Release date: | 2020-10-28 | Identifier: | 7-fluoranyl-~{N}-[1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]-4-(1-methylcyclopropyl)oxy-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine |
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![NBK NBK](https://data.pdbj.org/pdbjplus/data/cc/svg/NBK.svg) | NBK | Name: | 7-fluoranyl-4-(1-methylcyclopropyl)oxy-~{N}-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine | Formula: | C25 H28 F N9 O | SMILES: | CN1CCC(CC1)n2cc(Nc3nc(OC4(C)CC4)c5nc(c(F)cc5n3)c6cnc(C)nc6)cn2 | InChi: | InChI=1S/C25H28FN9O/c1-15-27-11-16(12-28-15)21-19(26)10-20-22(32-21)23(36-25(2)6-7-25)33-24(31-20)30-17-13-29-35(14-17)18-4-8-34(3)9-5-18/h10-14,18H,4-9H2,1-3H3,(H,30,31,33) | Definition date: | 2019-11-21 | Last modified: | 2020-10-23 | Release date: | 2020-10-28 | Identifier: | 7-fluoranyl-4-(1-methylcyclopropyl)oxy-~{N}-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine |
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![NBW NBW](https://data.pdbj.org/pdbjplus/data/cc/svg/NBW.svg) | NBW | Name: | ~{N},~{N}-dimethyl-4-(1-methylcyclopropyl)oxy-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[3,2-d]pyrimidine-6-carboxamide | Formula: | C23 H30 N8 O2 | SMILES: | CN1CCC(CC1)n2cc(Nc3nc(OC4(C)CC4)c5nc(ccc5n3)C(=O)N(C)C)cn2 | InChi: | InChI=1S/C23H30N8O2/c1-23(9-10-23)33-20-19-17(5-6-18(26-19)21(32)29(2)3)27-22(28-20)25-15-13-24-31(14-15)16-7-11-30(4)12-8-16/h5-6,13-14,16H,7-12H2,1-4H3,(H,25,27,28) | Definition date: | 2019-11-22 | Last modified: | 2020-10-23 | Release date: | 2020-10-28 | Identifier: | ~{N},~{N}-dimethyl-4-(1-methylcyclopropyl)oxy-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[3,2-d]pyrimidine-6-carboxamide |
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![ND2 ND2](https://data.pdbj.org/pdbjplus/data/cc/svg/ND2.svg) | ND2 | Name: | 4-(1-methylcyclopropyl)oxy-~{N}-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-amine | Formula: | C24 H29 N9 O | SMILES: | CN1CCC(CC1)n2cc(Nc3nc(OC4(C)CC4)c5nc(ccc5n3)c6cnn(C)c6)cn2 | InChi: | InChI=1S/C24H29N9O/c1-24(8-9-24)34-22-21-20(5-4-19(28-21)16-12-25-32(3)14-16)29-23(30-22)27-17-13-26-33(15-17)18-6-10-31(2)11-7-18/h4-5,12-15,18H,6-11H2,1-3H3,(H,27,29,30) | Definition date: | 2019-11-22 | Last modified: | 2020-10-23 | Release date: | 2020-10-28 | Identifier: | 4-(1-methylcyclopropyl)oxy-~{N}-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-amine |
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![HU5 HU5](https://data.pdbj.org/pdbjplus/data/cc/svg/HU5.svg) | HU5 | Name: | (1R,2S,5S)-N-[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-2,3-DIOXOPROPYL]-3-[(2S)-2-{[(TERT-BUTYLAMINO)CARBONYL]AMINO}-3,3-DIMET
HYLBUTANOYL]-6,6-DIMETHYL-3-AZABICYCLO[3.1.0]HEXANE-2-CARBOXAMIDE | Formula: | C27 H45 N5 O5 | SMILES: | O=C(N3C(C(=O)NC(C(=O)C(=O)N)CC1CCC1)C2C(C)(C2C3)C)C(NC(=O)NC(C)(C)C)C(C)(C)C | InChi: | InChI=1S/C27H45N5O5/c1-25(2,3)20(30-24(37)31-26(4,5)6)23(36)32-13-15-17(27(15,7)8)18(32)22(35)29-16(19(33)21(28)34)12-14-10-9-11-14/h14-18,20H,9-13H2,1-8H3,(H2,28,34)(H,29,35)(H2,30,31,37)/t15-,16-,17-,18-,20+/m0/s1 | Synonyms: | Boceprevir | Definition date: | 2007-01-09 | Last modified: | 2020-10-22 | Identifier: | (1R,2S,5S)-N-[(2S)-4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl]-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide |
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![QEL QEL](https://data.pdbj.org/pdbjplus/data/cc/svg/QEL.svg) | QEL | Name: | 4-[(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol | Formula: | C21 H27 N O2 | SMILES: | OC(c1ccc(O)cc1)C(N2CCC(CC2)Cc3ccccc3)C | InChi: | InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3/t16-,21-/m0/s1 | Synonyms: | Ifenprodil | Definition date: | 2011-01-28 | Last modified: | 2020-10-21 | Identifier: | 4-[(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol |
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![42D 42D](https://data.pdbj.org/pdbjplus/data/cc/svg/42D.svg) | 42D | Name: | 3,5-dideoxy-5-[(methoxycarbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid | Formula: | C11 H19 N O10 | SMILES: | O=C(O)C1(O)OC(C(O)C(O)CO)C(NC(=O)OC)C(O)C1 | InChi: | InChI=1S/C11H19NO10/c1-21-10(19)12-6-4(14)2-11(20,9(17)18)22-8(6)7(16)5(15)3-13/h4-8,13-16,20H,2-3H2,1H3,(H,12,19)(H,17,18)/t4-,5+,6+,7+,8+,11+/m0/s1 | Synonyms: | 3,5-dideoxy-5-[(methoxycarbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulosonic acid | Definition date: | 2009-04-27 | Last modified: | 2020-10-19 | Identifier: | 3,5-dideoxy-5-[(methoxycarbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid |
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