![LL0 LL0](https://data.pdbj.org/pdbjplus/data/cc/svg/LL0.svg) | LL0 | Name: | 2-(difluoromethoxy)benzene-1-sulfonamide | Formula: | C7 H7 F2 N O3 S | SMILES: | O=S(N)(=O)c1ccccc1OC(F)F | InChi: | InChI=1S/C7H7F2NO3S/c8-7(9)13-5-3-1-2-4-6(5)14(10,11)12/h1-4,7H,(H2,10,11,12) | Definition date: | 2022-03-04 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | 2-(difluoromethoxy)benzene-1-sulfonamide |
|
![LLU LLU](https://data.pdbj.org/pdbjplus/data/cc/svg/LLU.svg) | LLU | Name: | (2S)-2-(2-fluorophenoxy)propanoic acid | Formula: | C9 H9 F O3 | SMILES: | CC(Oc1ccccc1F)C(=O)O | InChi: | InChI=1S/C9H9FO3/c1-6(9(11)12)13-8-5-3-2-4-7(8)10/h2-6H,1H3,(H,11,12)/t6-/m0/s1 | Definition date: | 2022-03-04 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | (2S)-2-(2-fluorophenoxy)propanoic acid |
|
![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 |
|
![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 |
|
![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 |
|
![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 |
|
![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 |
|
![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 |
|
![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 |
|
![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 |
|
![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 |
|
![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 |
|
![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 |
|
![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 |
|
![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 |
|
![VLG VLG](https://data.pdbj.org/pdbjplus/data/cc/svg/VLG.svg) | VLG | Name: | 3'-methoxy[1,1'-biphenyl]-4-carboxylic acid | Formula: | C14 H12 O3 | SMILES: | COc1cccc(c1)c2ccc(cc2)C(O)=O | InChi: | InChI=1S/C14H12O3/c1-17-13-4-2-3-12(9-13)10-5-7-11(8-6-10)14(15)16/h2-9H,1H3,(H,15,16) | Synonyms: | 4-(3'-methoxyphenyl)benzoic acid | Definition date: | 2020-08-27 | Last modified: | 2022-03-04 | Release date: | 2022-03-09 | Identifier: | 3'-methoxy[1,1'-biphenyl]-4-carboxylic acid |
|
![QPJ QPJ](https://data.pdbj.org/pdbjplus/data/cc/svg/QPJ.svg) | QPJ | Name: | 2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol | Formula: | C5 H14 O10 P2 | SMILES: | P(O)(O)(OCC(O)C(CCO)OP(O)(O)=O)=O | InChi: | InChI=1S/C5H14O10P2/c6-2-1-5(15-17(11,12)13)4(7)3-14-16(8,9)10/h4-7H,1-3H2,(H2,8,9,10)(H2,11,12,13)/t4-,5+/m1/s1 | Definition date: | 2019-12-05 | Last modified: | 2022-03-04 | Release date: | 2022-03-09 | Identifier: | 2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol |
|
![ZJM ZJM](https://data.pdbj.org/pdbjplus/data/cc/svg/ZJM.svg) | ZJM | Name: | (1R,2R)-2-fluorocyclopentyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate | Formula: | C38 H49 F N6 O9 S | SMILES: | CC1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OC3CCCC3F)CCCCCC=CC2C1 | InChi: | InChI=1S/C38H49FN6O9S/c1-22-33(41-29-18-24(52-3)14-15-27(29)40-22)53-25-19-30-32(46)43-38(35(48)44-55(50,51)37(2)16-17-37)20-23(38)10-7-5-4-6-8-12-28(34(47)45(30)21-25)42-36(49)54-31-13-9-11-26(31)39/h7,10,14-15,18,23,25-26,28,30-31H,4-6,8-9,11-13,16-17,19-21H2,1-3H3,(H,42,49)(H,43,46)(H,44,48)/b10-7-/t23-,25-,26-,28+,30+,31-,38-/m1/s1 | Definition date: | 2021-04-30 | Last modified: | 2022-03-04 | Release date: | 2022-03-09 | Identifier: | (1R,2R)-2-fluorocyclopentyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate |
|
![ZJV ZJV](https://data.pdbj.org/pdbjplus/data/cc/svg/ZJV.svg) | ZJV | Name: | (2S)-1,1,1-trifluoropropan-2-yl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate | Formula: | C36 H45 F3 N6 O9 S | SMILES: | CC1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OC(C)C(F)(F)F)CCCCCC=CC2C1 | InChi: | InChI=1S/C36H45F3N6O9S/c1-20-30(41-27-16-23(52-4)12-13-25(27)40-20)54-24-17-28-29(46)43-35(32(48)44-55(50,51)34(3)14-15-34)18-22(35)10-8-6-5-7-9-11-26(31(47)45(28)19-24)42-33(49)53-21(2)36(37,38)39/h8,10,12-13,16,21-22,24,26,28H,5-7,9,11,14-15,17-19H2,1-4H3,(H,42,49)(H,43,46)(H,44,48)/b10-8-/t21-,22+,24+,26-,28-,35+/m0/s1 | Definition date: | 2021-04-30 | Last modified: | 2022-03-04 | Release date: | 2022-03-09 | Identifier: | (2S)-1,1,1-trifluoropropan-2-yl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate |
|
![ZJY ZJY](https://data.pdbj.org/pdbjplus/data/cc/svg/ZJY.svg) | ZJY | Name: | [1-(trifluoromethyl)cyclopropyl]methyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate | Formula: | C38 H47 F3 N6 O9 S | SMILES: | CC1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OCC3(CC3)C(F)(F)F)CCCCCC=CC2C1 | InChi: | InChI=1S/C38H47F3N6O9S/c1-22-31(43-28-17-24(54-3)11-12-26(28)42-22)56-25-18-29-30(48)45-37(33(50)46-57(52,53)35(2)13-14-35)19-23(37)9-7-5-4-6-8-10-27(32(49)47(29)20-25)44-34(51)55-21-36(15-16-36)38(39,40)41/h7,9,11-12,17,23,25,27,29H,4-6,8,10,13-16,18-21H2,1-3H3,(H,44,51)(H,45,48)(H,46,50)/b9-7-/t23-,25-,27+,29+,37-/m1/s1 | Definition date: | 2021-04-30 | Last modified: | 2022-03-04 | Release date: | 2022-03-09 | Identifier: | [1-(trifluoromethyl)cyclopropyl]methyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate |
|
![ZK4 ZK4](https://data.pdbj.org/pdbjplus/data/cc/svg/ZK4.svg) | ZK4 | Name: | (1R)-1-cyclopentyl-2,2,2-trifluoroethyl {(2R,4R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate | Formula: | C40 H51 F3 N6 O9 S | SMILES: | CC1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OC(C3CCCC3)C(F)(F)F)CCCCCC=CC2C1 | InChi: | InChI=1S/C40H51F3N6O9S/c1-23-34(45-30-19-26(56-3)15-16-28(30)44-23)57-27-20-31-33(50)47-39(36(52)48-59(54,55)38(2)17-18-38)21-25(39)13-7-5-4-6-8-14-29(35(51)49(31)22-27)46-37(53)58-32(40(41,42)43)24-11-9-10-12-24/h7,13,15-16,19,24-25,27,29,31-32H,4-6,8-12,14,17-18,20-22H2,1-3H3,(H,46,53)(H,47,50)(H,48,52)/b13-7-/t25-,27-,29+,31+,32-,39-/m1/s1 | Definition date: | 2021-04-30 | Last modified: | 2022-03-04 | Release date: | 2022-03-09 | Identifier: | (1R)-1-cyclopentyl-2,2,2-trifluoroethyl {(2R,4R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate |
|
![ZK7 ZK7](https://data.pdbj.org/pdbjplus/data/cc/svg/ZK7.svg) | ZK7 | Name: | 1-(trifluoromethyl)cyclobutyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate | Formula: | C38 H47 F3 N6 O9 S | SMILES: | CC1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OC3(CCC3)C(F)(F)F)CCCCCC=CC2C1 | InChi: | InChI=1S/C38H47F3N6O9S/c1-22-31(43-28-18-24(54-3)12-13-26(28)42-22)55-25-19-29-30(48)45-37(33(50)46-57(52,53)35(2)16-17-35)20-23(37)10-7-5-4-6-8-11-27(32(49)47(29)21-25)44-34(51)56-36(14-9-15-36)38(39,40)41/h7,10,12-13,18,23,25,27,29H,4-6,8-9,11,14-17,19-21H2,1-3H3,(H,44,51)(H,45,48)(H,46,50)/b10-7-/t23-,25-,27+,29+,37-/m1/s1 | Definition date: | 2021-04-30 | Last modified: | 2022-03-04 | Release date: | 2022-03-09 | Identifier: | 1-(trifluoromethyl)cyclobutyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate |
|
![YN7 YN7](https://data.pdbj.org/pdbjplus/data/cc/svg/YN7.svg) | YN7 | Name: | 5-{(5S)-1-[2-({3-chloro-6-[(2S)-2,4-dimethylpiperazin-1-yl]-2-fluoropyridin-4-yl}amino)-2-oxoethyl]-4-oxo-4,6,7,8-tetrahydro-1H-dipyrrolo[1,2-a:2',3'-d]pyrimidin-3-yl}-3,4-difluoro-2-hydroxybenzamide | Formula: | C29 H28 Cl F3 N8 O4 | SMILES: | CN1CC(C)N(CC1)c1nc(F)c(Cl)c(NC(=O)Cn2cc(c3cc(C(N)=O)c(O)c(F)c3F)c3C(=O)N4CCCC4=Nc32)c1 | InChi: | InChI=1S/C29H28ClF3N8O4/c1-13-10-38(2)6-7-40(13)19-9-17(22(30)26(33)36-19)35-20(42)12-39-11-16(14-8-15(27(34)44)25(43)24(32)23(14)31)21-28(39)37-18-4-3-5-41(18)29(21)45/h8-9,11,13,43H,3-7,10,12H2,1-2H3,(H2,34,44)(H,35,36,42)/t13-/m0/s1 | Definition date: | 2021-03-12 | Last modified: | 2022-03-04 | Release date: | 2022-03-09 | Identifier: | 5-{(5S)-1-[2-({3-chloro-6-[(2S)-2,4-dimethylpiperazin-1-yl]-2-fluoropyridin-4-yl}amino)-2-oxoethyl]-4-oxo-4,6,7,8-tetrahydro-1H-dipyrrolo[1,2-a:2',3'-d]pyrimidin-3-yl}-3,4-difluoro-2-hydroxybenzamide |
|
![YND YND](https://data.pdbj.org/pdbjplus/data/cc/svg/YND.svg) | YND | Name: | N-(3-chloropyridin-4-yl)-2-(3-methyl-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)acetamide | Formula: | C14 H12 Cl N5 O2 | SMILES: | Clc1cnccc1NC(=O)Cn1ccc2c1N=CN(C)C2=O | InChi: | InChI=1S/C14H12ClN5O2/c1-19-8-17-13-9(14(19)22)3-5-20(13)7-12(21)18-11-2-4-16-6-10(11)15/h2-6,8H,7H2,1H3,(H,16,18,21) | Definition date: | 2021-03-12 | Last modified: | 2022-03-04 | Release date: | 2022-03-09 | Identifier: | N-(3-chloropyridin-4-yl)-2-(3-methyl-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)acetamide |
|
![OGT OGT](https://data.pdbj.org/pdbjplus/data/cc/svg/OGT.svg) | OGT | Name: | 2-ETHOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL | Formula: | C8 H16 O6 | SMILES: | CCOC1OC(CO)C(O)C(O)C1O | InChi: | InChI=1S/C8H16O6/c1-2-13-8-7(12)6(11)5(10)4(3-9)14-8/h4-12H,2-3H2,1H3 | Definition date: | 1999-07-13 | Last modified: | 2022-03-04 | Release date: | 2022-03-09 | Identifier: | (2S,3R,4R,5S,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol |
|