![LMW LMW](https://data.pdbj.org/pdbjplus/data/cc/svg/LMW.svg) | LMW | Name: | 2-[(4-aminophenyl)(ethyl)amino]ethan-1-ol | Formula: | C10 H16 N2 O | SMILES: | CCN(CCO)c1ccc(N)cc1 | InChi: | InChI=1S/C10H16N2O/c1-2-12(7-8-13)10-5-3-9(11)4-6-10/h3-6,13H,2,7-8,11H2,1H3 | Definition date: | 2022-03-04 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | 2-[(4-aminophenyl)(ethyl)amino]ethan-1-ol |
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![LNS LNS](https://data.pdbj.org/pdbjplus/data/cc/svg/LNS.svg) | LNS | Name: | 6-(methylcarbamoyl)pyridine-2-carboxylic acid | Formula: | C8 H8 N2 O3 | SMILES: | OC(=O)c1cccc(n1)C(=O)NC | InChi: | InChI=1S/C8H8N2O3/c1-9-7(11)5-3-2-4-6(10-5)8(12)13/h2-4H,1H3,(H,9,11)(H,12,13) | Definition date: | 2022-03-04 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | 6-(methylcarbamoyl)pyridine-2-carboxylic acid |
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![LO6 LO6](https://data.pdbj.org/pdbjplus/data/cc/svg/LO6.svg) | LO6 | Name: | 2-(difluoromethoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one | Formula: | C9 H15 F2 N O3 | SMILES: | O=C(COC(F)F)N1CC(C)OC(C)C1 | InChi: | InChI=1S/C9H15F2NO3/c1-6-3-12(4-7(2)15-6)8(13)5-14-9(10)11/h6-7,9H,3-5H2,1-2H3/t6-,7+ | Definition date: | 2022-03-04 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | 2-(difluoromethoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one |
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![LPU LPU](https://data.pdbj.org/pdbjplus/data/cc/svg/LPU.svg) | LPU | Name: | 1-(methanesulfonyl)piperidin-4-ol | Formula: | C6 H13 N O3 S | SMILES: | OC1CCN(CC1)S(=O)(C)=O | InChi: | InChI=1S/C6H13NO3S/c1-11(9,10)7-4-2-6(8)3-5-7/h6,8H,2-5H2,1H3 | Definition date: | 2022-03-04 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | 1-(methanesulfonyl)piperidin-4-ol |
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![LQ3 LQ3](https://data.pdbj.org/pdbjplus/data/cc/svg/LQ3.svg) | LQ3 | Name: | (5S)-5-(difluoromethoxy)pyridin-2(5H)-one | Formula: | C6 H5 F2 N O2 | SMILES: | O=C1C=CC(OC(F)F)C=N1 | InChi: | InChI=1S/C6H5F2NO2/c7-6(8)11-4-1-2-5(10)9-3-4/h1-4,6H/t4-/m0/s1 | Definition date: | 2022-03-04 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | (5S)-5-(difluoromethoxy)pyridin-2(5H)-one |
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![LQI LQI](https://data.pdbj.org/pdbjplus/data/cc/svg/LQI.svg) | LQI | Name: | (1-benzofuran-2-yl)(4-methylpiperidin-1-yl)methanone | Formula: | C15 H17 N O2 | SMILES: | CC1CCN(CC1)C(=O)c1cc2ccccc2o1 | InChi: | InChI=1S/C15H17NO2/c1-11-6-8-16(9-7-11)15(17)14-10-12-4-2-3-5-13(12)18-14/h2-5,10-11H,6-9H2,1H3 | Definition date: | 2022-03-04 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | (1-benzofuran-2-yl)(4-methylpiperidin-1-yl)methanone |
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![LQP LQP](https://data.pdbj.org/pdbjplus/data/cc/svg/LQP.svg) | LQP | Name: | 2-(difluoromethoxy)-1-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-yl]ethan-1-one | Formula: | C10 H15 F2 N O2 | SMILES: | FC(F)OCC(=O)N1CC2CCCC2C1 | InChi: | InChI=1S/C10H15F2NO2/c11-10(12)15-6-9(14)13-4-7-2-1-3-8(7)5-13/h7-8,10H,1-6H2/t7-,8+ | Definition date: | 2022-03-04 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | 2-(difluoromethoxy)-1-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-yl]ethan-1-one |
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![LQV LQV](https://data.pdbj.org/pdbjplus/data/cc/svg/LQV.svg) | LQV | Name: | (2S)-N-(5-methylpyridin-2-yl)oxolane-2-carboxamide | Formula: | C11 H14 N2 O2 | SMILES: | O=C(Nc1ccc(C)cn1)C1CCCO1 | InChi: | InChI=1S/C11H14N2O2/c1-8-4-5-10(12-7-8)13-11(14)9-3-2-6-15-9/h4-5,7,9H,2-3,6H2,1H3,(H,12,13,14)/t9-/m0/s1 | Definition date: | 2022-03-04 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | (2S)-N-(5-methylpyridin-2-yl)oxolane-2-carboxamide |
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![LR9 LR9](https://data.pdbj.org/pdbjplus/data/cc/svg/LR9.svg) | LR9 | Name: | 3-amino-N-ethyl-N-methylbenzamide | Formula: | C10 H14 N2 O | SMILES: | O=C(c1cc(N)ccc1)N(C)CC | InChi: | InChI=1S/C10H14N2O/c1-3-12(2)10(13)8-5-4-6-9(11)7-8/h4-7H,3,11H2,1-2H3 | Definition date: | 2022-03-04 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | 3-amino-N-ethyl-N-methylbenzamide |
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![LRF LRF](https://data.pdbj.org/pdbjplus/data/cc/svg/LRF.svg) | LRF | Name: | N~2~-(4-cyano-3-methyl-1,2-thiazol-5-yl)-N~2~-methylglycinamide | Formula: | C8 H10 N4 O S | SMILES: | N#Cc1c(snc1C)N(C)CC(N)=O | InChi: | InChI=1S/C8H10N4OS/c1-5-6(3-9)8(14-11-5)12(2)4-7(10)13/h4H2,1-2H3,(H2,10,13) | Definition date: | 2022-03-04 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | N~2~-(4-cyano-3-methyl-1,2-thiazol-5-yl)-N~2~-methylglycinamide |
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![LRR LRR](https://data.pdbj.org/pdbjplus/data/cc/svg/LRR.svg) | LRR | Name: | 1-(morpholin-4-yl)-4-phenylbutan-1-one | Formula: | C14 H19 N O2 | SMILES: | O=C(CCCc1ccccc1)N1CCOCC1 | InChi: | InChI=1S/C14H19NO2/c16-14(15-9-11-17-12-10-15)8-4-7-13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2 | Definition date: | 2022-03-04 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | 1-(morpholin-4-yl)-4-phenylbutan-1-one |
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![7SE 7SE](https://data.pdbj.org/pdbjplus/data/cc/svg/7SE.svg) | 7SE | Name: | (3S)-3-(benzotriazol-2-yl)piperidine-2,6-dione | Formula: | C11 H10 N4 O2 | SMILES: | O=C1CC[CH](n2nc3ccccc3n2)C(=O)N1 | InChi: | InChI=1S/C11H10N4O2/c16-10-6-5-9(11(17)12-10)15-13-7-3-1-2-4-8(7)14-15/h1-4,9H,5-6H2,(H,12,16,17)/t9-/m0/s1 | Definition date: | 2021-08-24 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | (3~{S})-3-(benzotriazol-2-yl)piperidine-2,6-dione |
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![BA7 BA7](https://data.pdbj.org/pdbjplus/data/cc/svg/BA7.svg) | BA7 | Name: | [(2R,3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] benzoate | Formula: | C22 H27 N5 O15 P2 | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH](O)[CH](OC(=O)c5ccccc5)[CH]4O)[CH](O)[CH]3O | InChi: | InChI=1S/C22H27N5O15P2/c23-18-13-19(25-8-24-18)27(9-26-13)20-16(30)14(28)11(39-20)6-37-43(33,34)42-44(35,36)38-7-12-15(29)17(22(32)40-12)41-21(31)10-4-2-1-3-5-10/h1-5,8-9,11-12,14-17,20,22,28-30,32H,6-7H2,(H,33,34)(H,35,36)(H2,23,24,25)/t11-,12-,14-,15-,16-,17-,20-,22-/m1/s1 | Definition date: | 2021-06-26 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | [(2~{R},3~{R},4~{R},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]-2,4-bis(oxidanyl)oxolan-3-yl] benzoate |
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![UR5 UR5](https://data.pdbj.org/pdbjplus/data/cc/svg/UR5.svg) | UR5 | Name: | (+)-3-Hydroxy-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-6-carboxylic acid | Formula: | C6 H8 N2 O4 | SMILES: | OC(=O)[CH]1NC[CH]2[CH]1ONC2=O | InChi: | InChI=1S/C6H8N2O4/c9-5-2-1-7-3(6(10)11)4(2)12-8-5/h2-4,7H,1H2,(H,8,9)(H,10,11)/t2-,3-,4-/m0/s1 | Synonyms: | (3~{a}~{S},6~{S},6~{a}~{S})-3-oxidanylidene-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-d][1,2]oxazole-6-carboxylic acid | Definition date: | 2021-03-09 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | (3~{a}~{S},6~{S},6~{a}~{S})-3-oxidanylidene-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-d][1,2]oxazole-6-carboxylic acid |
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![UR8 UR8](https://data.pdbj.org/pdbjplus/data/cc/svg/UR8.svg) | UR8 | Name: | (-)-3-Hydroxy-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-6-carboxylic acid | Formula: | C6 H8 N2 O4 | SMILES: | OC(=O)[CH]1NC[CH]2[CH]1ONC2=O | InChi: | InChI=1S/C6H8N2O4/c9-5-2-1-7-3(6(10)11)4(2)12-8-5/h2-4,7H,1H2,(H,8,9)(H,10,11)/t2-,3-,4-/m1/s1 | Synonyms: | (3~{a}~{R},6~{R},6~{a}~{R})-3-oxidanylidene-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-d][1,2]oxazole-6-carboxylic acid | Definition date: | 2021-03-09 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | (3~{a}~{R},6~{R},6~{a}~{R})-3-oxidanylidene-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-d][1,2]oxazole-6-carboxylic acid |
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![URH URH](https://data.pdbj.org/pdbjplus/data/cc/svg/URH.svg) | URH | Name: | ~{N}-[[4-(phenylcarbonyl)phenyl]methyl]-4-sulfamoyl-benzamide | Formula: | C21 H18 N2 O4 S | SMILES: | N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2ccc(cc2)C(=O)c3ccccc3 | InChi: | InChI=1S/C21H18N2O4S/c22-28(26,27)19-12-10-18(11-13-19)21(25)23-14-15-6-8-17(9-7-15)20(24)16-4-2-1-3-5-16/h1-13H,14H2,(H,23,25)(H2,22,26,27) | Definition date: | 2021-03-10 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | ~{N}-[[4-(phenylcarbonyl)phenyl]methyl]-4-sulfamoyl-benzamide |
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![JAX JAX](https://data.pdbj.org/pdbjplus/data/cc/svg/JAX.svg) | JAX | Name: | (E)-3-(1H-indol-3-yl)-2-oxidanyl-but-2-enoic acid | Formula: | C12 H11 N O3 | SMILES: | CC(=C(O)C(O)=O)c1c[nH]c2ccccc12 | InChi: | InChI=1S/C12H11NO3/c1-7(11(14)12(15)16)9-6-13-10-5-3-2-4-8(9)10/h2-6,13-14H,1H3,(H,15,16)/b11-7+ | Definition date: | 2021-05-10 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | (~{E})-3-(1~{H}-indol-3-yl)-2-oxidanyl-but-2-enoic acid |
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![JCX JCX](https://data.pdbj.org/pdbjplus/data/cc/svg/JCX.svg) | JCX | Name: | (2S,3R)-2-azanyl-3-phenyl-butanoic acid | Formula: | C10 H13 N O2 | SMILES: | C[CH]([CH](N)C(O)=O)c1ccccc1 | InChi: | InChI=1S/C10H13NO2/c1-7(9(11)10(12)13)8-5-3-2-4-6-8/h2-7,9H,11H2,1H3,(H,12,13)/t7-,9+/m1/s1 | Definition date: | 2021-05-19 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | (2~{S},3~{R})-2-azanyl-3-phenyl-butanoic acid |
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![JD3 JD3](https://data.pdbj.org/pdbjplus/data/cc/svg/JD3.svg) | JD3 | Name: | (2S,3R)-2-azanyl-3-(1H-indol-3-yl)butanoic acid | Formula: | C12 H14 N2 O2 | SMILES: | C[CH]([CH](N)C(O)=O)c1c[nH]c2ccccc12 | InChi: | InChI=1S/C12H14N2O2/c1-7(11(13)12(15)16)9-6-14-10-5-3-2-4-8(9)10/h2-7,11,14H,13H2,1H3,(H,15,16)/t7-,11+/m1/s1 | Definition date: | 2021-05-20 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | (2~{S},3~{R})-2-azanyl-3-(1~{H}-indol-3-yl)butanoic acid |
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![VCH VCH](https://data.pdbj.org/pdbjplus/data/cc/svg/VCH.svg) | VCH | Name: | (1~{R})-2-ethanoyl-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-5-methylsulfonyl-1,3-dihydroisoindole-1-carboxamide | Formula: | C21 H18 F6 N2 O5 S | SMILES: | CC(=O)N1Cc2cc(ccc2[CH]1C(=O)Nc3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)[S](C)(=O)=O | InChi: | InChI=1S/C21H18F6N2O5S/c1-11(30)29-10-12-9-15(35(2,33)34)7-8-16(12)17(29)18(31)28-14-5-3-13(4-6-14)19(32,20(22,23)24)21(25,26)27/h3-9,17,32H,10H2,1-2H3,(H,28,31)/t17-/m1/s1 | Definition date: | 2021-05-05 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | (1~{R})-2-ethanoyl-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-5-methylsulfonyl-1,3-dihydroisoindole-1-carboxamide |
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![VCK VCK](https://data.pdbj.org/pdbjplus/data/cc/svg/VCK.svg) | VCK | Name: | (2~{R})-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-~{N}'-methyl-butanediamide | Formula: | C22 H22 F6 N2 O5 S | SMILES: | CC[S](=O)(=O)c1ccc(cc1)[CH](CC(=O)NC)C(=O)Nc2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F | InChi: | InChI=1S/C22H22F6N2O5S/c1-3-36(34,35)16-10-4-13(5-11-16)17(12-18(31)29-2)19(32)30-15-8-6-14(7-9-15)20(33,21(23,24)25)22(26,27)28/h4-11,17,33H,3,12H2,1-2H3,(H,29,31)(H,30,32)/t17-/m1/s1 | Definition date: | 2021-05-05 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | (2~{R})-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-~{N}'-methyl-butanediamide |
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![6RI 6RI](https://data.pdbj.org/pdbjplus/data/cc/svg/6RI.svg) | 6RI | Name: | N-(4-fluorophenyl)-3-{4-[4-(hydroxymethyl)-6-(trifluoromethyl)pyridin-3-yl]phenyl}oxetane-3-carboxamide | Formula: | C23 H18 F4 N2 O3 | SMILES: | O=C(Nc1ccc(F)cc1)C1(COC1)c1ccc(cc1)c1cnc(cc1CO)C(F)(F)F | InChi: | InChI=1S/C23H18F4N2O3/c24-17-5-7-18(8-6-17)29-21(31)22(12-32-13-22)16-3-1-14(2-4-16)19-10-28-20(23(25,26)27)9-15(19)11-30/h1-10,30H,11-13H2,(H,29,31) | Definition date: | 2021-08-10 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | N-(4-fluorophenyl)-3-{4-[4-(hydroxymethyl)-6-(trifluoromethyl)pyridin-3-yl]phenyl}oxetane-3-carboxamide |
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![6ZI 6ZI](https://data.pdbj.org/pdbjplus/data/cc/svg/6ZI.svg) | 6ZI | Name: | 3-[4-(6-cyclopropylpyridin-3-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide | Formula: | C24 H21 F N2 O2 | SMILES: | O=C(Nc1ccc(F)cc1)C1(COC1)c1ccc(cc1)c1ccc(nc1)C1CC1 | InChi: | InChI=1S/C24H21FN2O2/c25-20-8-10-21(11-9-20)27-23(28)24(14-29-15-24)19-6-3-16(4-7-19)18-5-12-22(26-13-18)17-1-2-17/h3-13,17H,1-2,14-15H2,(H,27,28) | Definition date: | 2021-08-10 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | 3-[4-(6-cyclopropylpyridin-3-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide |
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![8G7 8G7](https://data.pdbj.org/pdbjplus/data/cc/svg/8G7.svg) | 8G7 | Name: | (2R,4S)-2-(2-hydroxyethyl)-2,6-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one | Formula: | C19 H24 N2 O3 | SMILES: | CN1C(=O)C2=C(O[C](C)(CCO)C[CH]2C=C(C)C)c3cccnc13 | InChi: | InChI=1S/C19H24N2O3/c1-12(2)10-13-11-19(3,7-9-22)24-16-14-6-5-8-20-17(14)21(4)18(23)15(13)16/h5-6,8,10,13,22H,7,9,11H2,1-4H3/t13-,19+/m1/s1 | Definition date: | 2021-12-10 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | (2~{R},4~{S})-2-(2-hydroxyethyl)-2,6-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one |
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![8GO 8GO](https://data.pdbj.org/pdbjplus/data/cc/svg/8GO.svg) | 8GO | Name: | (2R,4S)-6-ethyl-2-(2-hydroxyethyl)-2,8-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one | Formula: | C21 H28 N2 O3 | SMILES: | CCN1C(=O)C2=C(O[C](C)(CCO)C[CH]2C=C(C)C)c3ccc(C)nc13 | InChi: | InChI=1S/C21H28N2O3/c1-6-23-19-16(8-7-14(4)22-19)18-17(20(23)25)15(11-13(2)3)12-21(5,26-18)9-10-24/h7-8,11,15,24H,6,9-10,12H2,1-5H3/t15-,21+/m1/s1 | Definition date: | 2021-12-10 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | (2~{R},4~{S})-6-ethyl-2-(2-hydroxyethyl)-2,8-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one |
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