![QP7 QP7](https://data.pdbj.org/pdbjplus/data/cc/svg/QP7.svg) | QP7 | Name: | 3-[4-(4-fluorophenyl)-5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-2-yl]propan-1-ol | Formula: | C25 H21 F N4 O | SMILES: | c5(nc(c1ccc(cc1)F)c(c4c2c(nc(c2)c3ccccc3)ncc4)n5)CCCO | InChi: | InChI=1S/C25H21FN4O/c26-18-10-8-17(9-11-18)23-24(30-22(29-23)7-4-14-31)19-12-13-27-25-20(19)15-21(28-25)16-5-2-1-3-6-16/h1-3,5-6,8-13,15,31H,4,7,14H2,(H,27,28)(H,29,30) | Definition date: | 2019-12-05 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | 3-[4-(4-fluorophenyl)-5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-2-yl]propan-1-ol |
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![QQJ QQJ](https://data.pdbj.org/pdbjplus/data/cc/svg/QQJ.svg) | QQJ | Name: | N-[3-({4-[4-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide | Formula: | C25 H24 F N5 O2 S | SMILES: | c1(ccc(cc1)c4c(c3cc(Nc2c(ccc(c2)NC(=O)CC)OC)ncc3)nc(n4)SC)F | InChi: | InChI=1S/C25H24FN5O2S/c1-4-22(32)28-18-9-10-20(33-2)19(14-18)29-21-13-16(11-12-27-21)24-23(30-25(31-24)34-3)15-5-7-17(26)8-6-15/h5-14H,4H2,1-3H3,(H,27,29)(H,28,32)(H,30,31) | Definition date: | 2019-12-09 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | N-[3-({4-[4-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide |
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![QQM QQM](https://data.pdbj.org/pdbjplus/data/cc/svg/QQM.svg) | QQM | Name: | N-[3-({4-[4-(4-fluorophenyl)-2-(3-hydroxypropyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide | Formula: | C27 H28 F N5 O3 | SMILES: | c4c(ccc(c1nc(CCCO)nc1c2cc(ncc2)Nc3c(ccc(NC(CC)=O)c3)OC)c4)F | InChi: | InChI=1S/C27H28FN5O3/c1-3-25(35)30-20-10-11-22(36-2)21(16-20)31-24-15-18(12-13-29-24)27-26(17-6-8-19(28)9-7-17)32-23(33-27)5-4-14-34/h6-13,15-16,34H,3-5,14H2,1-2H3,(H,29,31)(H,30,35)(H,32,33) | Definition date: | 2019-12-09 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | N-[3-({4-[4-(4-fluorophenyl)-2-(3-hydroxypropyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide |
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![QH4 QH4](https://data.pdbj.org/pdbjplus/data/cc/svg/QH4.svg) | QH4 | Name: | {(2S)-4-[2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-propanoylpiperazin-2-yl}acetonitrile | Formula: | C32 H39 N7 O2 | SMILES: | C(C#N)C1CN(CCN1C(=O)CC)c2nc(nc3CN(CCc23)c4c5c(ccc4)cccc5)OCC6CCCN6C | InChi: | InChI=1S/C32H39N7O2/c1-3-30(40)39-19-18-38(20-24(39)13-15-33)31-27-14-17-37(29-12-6-9-23-8-4-5-11-26(23)29)21-28(27)34-32(35-31)41-22-25-10-7-16-36(25)2/h4-6,8-9,11-12,24-25H,3,7,10,13-14,16-22H2,1-2H3/t24-,25-/m0/s1 | Definition date: | 2019-11-01 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | {(2S)-4-[2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-propanoylpiperazin-2-yl}acetonitrile |
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![LSQ LSQ](https://data.pdbj.org/pdbjplus/data/cc/svg/LSQ.svg) | LSQ | Name: | 3-(3-chlorophenyl)propanoic acid | Formula: | C9 H9 Cl O2 | SMILES: | OC(=O)CCc1cccc(Cl)c1 | InChi: | InChI=1S/C9H9ClO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,4-5H2,(H,11,12) | Definition date: | 2019-09-03 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | 3-(3-chlorophenyl)propanoic acid |
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![M1R M1R](https://data.pdbj.org/pdbjplus/data/cc/svg/M1R.svg) | M1R | Name: | 1-{4-[2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one | Formula: | C30 H38 N6 O2 | SMILES: | c5(N2Cc3nc(nc(N1CCN(CC1)C(CC)=O)c3CC2)OCC4N(C)CCC4)cccc6c5cccc6 | InChi: | InChI=1S/C30H38N6O2/c1-3-28(37)34-16-18-35(19-17-34)29-25-13-15-36(27-12-6-9-22-8-4-5-11-24(22)27)20-26(25)31-30(32-29)38-21-23-10-7-14-33(23)2/h4-6,8-9,11-12,23H,3,7,10,13-21H2,1-2H3/t23-/m0/s1 | Definition date: | 2019-10-31 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | 1-{4-[2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one |
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![M1X M1X](https://data.pdbj.org/pdbjplus/data/cc/svg/M1X.svg) | M1X | Name: | {(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-[(2S)-2-fluoropropanoyl]piperazin-2-yl}acetonitrile | Formula: | C32 H37 Cl F N7 O2 | SMILES: | n2c(N1CCN(C(C(C)F)=O)C(C1)CC#N)c4CCN(Cc4nc2OCC3N(C)CCC3)c5cccc6c5c(ccc6)Cl | InChi: | InChI=1S/C32H37ClFN7O2/c1-21(34)31(42)41-17-16-40(18-23(41)11-13-35)30-25-12-15-39(28-10-4-7-22-6-3-9-26(33)29(22)28)19-27(25)36-32(37-30)43-20-24-8-5-14-38(24)2/h3-4,6-7,9-10,21,23-24H,5,8,11-12,14-20H2,1-2H3/t21-,23-,24-/m0/s1 | Definition date: | 2019-11-01 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | {(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-[(2S)-2-fluoropropanoyl]piperazin-2-yl}acetonitrile |
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![MVV MVV](https://data.pdbj.org/pdbjplus/data/cc/svg/MVV.svg) | MVV | Name: | (2R)-1-(alpha-D-glucopyranosyloxy)-3-(octadecanoyloxy)propan-2-yl (9Z)-octadec-9-enoate | Formula: | C45 H84 O10 | SMILES: | C1(C(CO)OC(OCC(COC(CCCCCCCCCCCCCCCCC)=O)OC(=O)CCCCCCCC=[C@H]CCCCCCCC)C(C1O)O)O | InChi: | InChI=1S/C45H84O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,38-39,42-46,49-51H,3-17,19,21-37H2,1-2H3/b20-18-/t38-,39+,42+,43-,44+,45-/m0/s1 | Definition date: | 2019-04-19 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | (2R)-1-(alpha-D-glucopyranosyloxy)-3-(octadecanoyloxy)propan-2-yl (9Z)-octadec-9-enoate |
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![D5Y D5Y](https://data.pdbj.org/pdbjplus/data/cc/svg/D5Y.svg) | D5Y | Name: | methyl 3-(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alaninate | Formula: | C8 H10 Br N3 O4 | SMILES: | O=C1NC(C(=CN1CC(N)C(=O)OC)Br)=O | InChi: | InChI=1S/C8H10BrN3O4/c1-16-7(14)5(10)3-12-2-4(9)6(13)11-8(12)15/h2,5H,3,10H2,1H3,(H,11,13,15)/t5-/m0/s1 | Definition date: | 2017-10-20 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | methyl 3-(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alaninate |
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![T9J T9J](https://data.pdbj.org/pdbjplus/data/cc/svg/T9J.svg) | T9J | Name: | Nalpha-acetyl-N-(3-bromoprop-2-yn-1-yl)-L-tyrosinamide | Formula: | C14 H15 Br N2 O3 | SMILES: | N(C(Cc1ccc(cc1)O)C(=O)NCC#CBr)C(C)=O | InChi: | InChI=1S/C14H15BrN2O3/c1-10(18)17-13(14(20)16-8-2-7-15)9-11-3-5-12(19)6-4-11/h3-6,13,19H,8-9H2,1H3,(H,16,20)(H,17,18)/t13-/m0/s1 | Definition date: | 2020-03-18 | Last modified: | 2020-04-10 | Release date: | 2020-04-15 | Identifier: | Nalpha-acetyl-N-(3-bromoprop-2-yn-1-yl)-L-tyrosinamide |
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![O3Z O3Z](https://data.pdbj.org/pdbjplus/data/cc/svg/O3Z.svg) | O3Z | Name: | (2~{R})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-propanoic acid | Formula: | C11 H17 N2 O8 P | SMILES: | Cc1ncc(CO[P](O)(O)=O)c(CN[CH](CO)C(O)=O)c1O | InChi: | InChI=1S/C11H17N2O8P/c1-6-10(15)8(3-13-9(4-14)11(16)17)7(2-12-6)5-21-22(18,19)20/h2,9,13-15H,3-5H2,1H3,(H,16,17)(H2,18,19,20)/t9-/m1/s1 | Definition date: | 2020-01-28 | Last modified: | 2020-04-10 | Release date: | 2020-04-15 | Identifier: | (2~{R})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-propanoic acid |
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![C6O C6O](https://data.pdbj.org/pdbjplus/data/cc/svg/C6O.svg) | C6O | Name: | 6-(2-chloranyl-3-fluoranyl-phenyl)-5-methyl-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[(3S)-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one | Formula: | C34 H39 Cl F N7 O2 | SMILES: | CCC(=O)N1CCC[CH](C1)N2C(=O)C(=C(C)c3cnc(Nc4ccc(N5CCN(C)CC5)c(C)c4)nc23)c6cccc(F)c6Cl | InChi: | InChI=1S/C34H39ClFN7O2/c1-5-29(44)42-13-7-8-24(20-42)43-32-26(22(3)30(33(43)45)25-9-6-10-27(36)31(25)35)19-37-34(39-32)38-23-11-12-28(21(2)18-23)41-16-14-40(4)15-17-41/h6,9-12,18-19,24H,5,7-8,13-17,20H2,1-4H3,(H,37,38,39)/t24-/m0/s1 | Definition date: | 2019-04-11 | Last modified: | 2020-04-10 | Release date: | 2020-04-15 | Identifier: | 6-(2-chloranyl-3-fluoranyl-phenyl)-5-methyl-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[(3~{S})-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one |
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![IEF IEF](https://data.pdbj.org/pdbjplus/data/cc/svg/IEF.svg) | IEF | Name: | propan-2-yl (R)-tridec-12-en-1-ylphosphonofluoridate | Formula: | C16 H32 F O2 P | SMILES: | FP(=O)(OC(C)C)CCCCCCCCCCCC=C | InChi: | InChI=1S/C16H32FO2P/c1-4-5-6-7-8-9-10-11-12-13-14-15-20(17,18)19-16(2)3/h4,16H,1,5-15H2,2-3H3/t20-/m1/s1 | Definition date: | 2014-12-11 | Last modified: | 2020-04-08 | Release date: | 2015-03-11 | Identifier: | propan-2-yl (R)-tridec-12-en-1-ylphosphonofluoridate |
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![29E 29E](https://data.pdbj.org/pdbjplus/data/cc/svg/29E.svg) | 29E | Name: | (3S)-N-methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine | Formula: | C18 H19 N O S | SMILES: | O(c1cccc2c1cccc2)C(c3sccc3)CCNC | InChi: | InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1 | Synonyms: | Duloxetine | Definition date: | 2013-09-11 | Last modified: | 2020-04-05 | Release date: | 2013-10-16 | Identifier: | (3S)-N-methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine |
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![5U0 5U0](https://data.pdbj.org/pdbjplus/data/cc/svg/5U0.svg) | 5U0 | Name: | s-farnesyl-l-cysteine methyl ester | Formula: | C19 H33 N O2 S | SMILES: | COC(=O)[CH](N)CSCC=C(C)CCC=C(C)CCC=C(C)C | InChi: | InChI=1S/C19H33NO2S/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-23-14-18(20)19(21)22-5/h8,10,12,18H,6-7,9,11,13-14,20H2,1-5H3/b16-10+,17-12+/t18-/m0/s1 | Definition date: | 2015-12-02 | Last modified: | 2020-04-03 | Release date: | 2020-04-08 | Identifier: | methyl (2~{R})-2-azanyl-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-propanoate |
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![TGH TGH](https://data.pdbj.org/pdbjplus/data/cc/svg/TGH.svg) | TGH | Name: | 6-{[(S)-carboxy(hydroxy)methyl]amino}-7-hydroxy-L-tryptophan | Formula: | C13 H15 N3 O6 | SMILES: | NC(C(=O)O)Cc1cnc2c1ccc(c2O)NC(C(=O)O)O | InChi: | InChI=1S/C13H15N3O6/c14-7(12(19)20)3-5-4-15-9-6(5)1-2-8(10(9)17)16-11(18)13(21)22/h1-2,4,7,11,15-18H,3,14H2,(H,19,20)(H,21,22)/t7-,11-/m0/s1 | Definition date: | 2020-01-29 | Last modified: | 2020-04-03 | Release date: | 2020-04-08 | Identifier: | 6-{[(S)-carboxy(hydroxy)methyl]amino}-7-hydroxy-L-tryptophan |
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![RH4 RH4](https://data.pdbj.org/pdbjplus/data/cc/svg/RH4.svg) | RH4 | Name: | methyl (2R)-3-(furan-2-yl)-2-(pyridin-4-yl)propanoate | Formula: | C13 H13 N O3 | SMILES: | c2(CC(c1ccncc1)C(OC)=O)ccco2 | InChi: | InChI=1S/C13H13NO3/c1-16-13(15)12(9-11-3-2-8-17-11)10-4-6-14-7-5-10/h2-8,12H,9H2,1H3/t12-/m1/s1 | Definition date: | 2020-02-12 | Last modified: | 2020-04-03 | Release date: | 2020-04-08 | Identifier: | methyl (2R)-3-(furan-2-yl)-2-(pyridin-4-yl)propanoate |
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![RHV RHV](https://data.pdbj.org/pdbjplus/data/cc/svg/RHV.svg) | RHV | Name: | ethyl N-[(2R)-2-(4-methylpyridin-2-yl)propanoyl]glycinate | Formula: | C13 H18 N2 O3 | SMILES: | C(C(NCC(OCC)=O)=O)(C)c1cc(C)ccn1 | InChi: | InChI=1S/C13H18N2O3/c1-4-18-12(16)8-15-13(17)10(3)11-7-9(2)5-6-14-11/h5-7,10H,4,8H2,1-3H3,(H,15,17)/t10-/m1/s1 | Definition date: | 2020-02-12 | Last modified: | 2020-04-03 | Release date: | 2020-04-08 | Identifier: | ethyl N-[(2R)-2-(4-methylpyridin-2-yl)propanoyl]glycinate |
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![MZN MZN](https://data.pdbj.org/pdbjplus/data/cc/svg/MZN.svg) | MZN | Name: | 7-(2-fluoranyl-6-oxidanyl-phenyl)-3-[(3~{R})-1-propanoylpyrrolidin-3-yl]-4~{H}-2,6-naphthyridin-1-one | Formula: | C21 H20 F N3 O3 | SMILES: | CCC(=O)N1CC[CH](C1)C2=NC(=O)c3cc(ncc3C2)c4c(O)cccc4F | InChi: | InChI=1S/C21H20FN3O3/c1-2-19(27)25-7-6-12(11-25)16-8-13-10-23-17(9-14(13)21(28)24-16)20-15(22)4-3-5-18(20)26/h3-5,9-10,12,26H,2,6-8,11H2,1H3/t12-/m1/s1 | Definition date: | 2019-10-30 | Last modified: | 2020-04-03 | Release date: | 2020-04-08 | Identifier: | 7-(2-fluoranyl-6-oxidanyl-phenyl)-3-[(3~{R})-1-propanoylpyrrolidin-3-yl]-4~{H}-2,6-naphthyridin-1-one |
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![MZQ MZQ](https://data.pdbj.org/pdbjplus/data/cc/svg/MZQ.svg) | MZQ | Name: | 7-[2,4-bis(fluoranyl)phenyl]-3-[(3~{R})-1-propanoylpyrrolidin-3-yl]-4~{H}-isoquinolin-1-one | Formula: | C22 H20 F2 N2 O2 | SMILES: | CCC(=O)N1CC[CH](C1)C2=NC(=O)c3cc(ccc3C2)c4ccc(F)cc4F | InChi: | InChI=1S/C22H20F2N2O2/c1-2-21(27)26-8-7-15(12-26)20-10-14-4-3-13(9-18(14)22(28)25-20)17-6-5-16(23)11-19(17)24/h3-6,9,11,15H,2,7-8,10,12H2,1H3/t15-/m1/s1 | Definition date: | 2019-10-30 | Last modified: | 2020-04-03 | Release date: | 2020-04-08 | Identifier: | 7-[2,4-bis(fluoranyl)phenyl]-3-[(3~{R})-1-propanoylpyrrolidin-3-yl]-4~{H}-isoquinolin-1-one |
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![R4S R4S](https://data.pdbj.org/pdbjplus/data/cc/svg/R4S.svg) | R4S | Name: | N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanecarboxamide | Formula: | C18 H22 F N7 O2 | SMILES: | n1cc(cn1CCO)Nc2ncc(c(n2)N3CC4C(C3)(C4)NC(C5CC5)=O)F | InChi: | InChI=1S/C18H22FN7O2/c19-14-7-20-17(22-13-6-21-26(9-13)3-4-27)23-15(14)25-8-12-5-18(12,10-25)24-16(28)11-1-2-11/h6-7,9,11-12,27H,1-5,8,10H2,(H,24,28)(H,20,22,23)/t12-,18-/m1/s1 | Definition date: | 2020-01-30 | Last modified: | 2020-04-03 | Release date: | 2020-04-08 | Identifier: | N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanecarboxamide |
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![R4V R4V](https://data.pdbj.org/pdbjplus/data/cc/svg/R4V.svg) | R4V | Name: | (1S)-2,2-difluoro-N-[(1S,5R,6R)-3-{5-fluoro-2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-6-methyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide | Formula: | C18 H20 F3 N7 O | SMILES: | n1c(ncc(c1N3CC2C(C2C)(C3)NC(C4C(F)(C4)F)=O)F)Nc5cn(nc5)C | InChi: | InChI=1S/C18H20F3N7O/c1-9-12-7-28(8-17(9,12)26-15(29)11-3-18(11,20)21)14-13(19)5-22-16(25-14)24-10-4-23-27(2)6-10/h4-6,9,11-12H,3,7-8H2,1-2H3,(H,26,29)(H,22,24,25)/t9-,11+,12+,17+/m1/s1 | Definition date: | 2020-01-30 | Last modified: | 2020-04-03 | Release date: | 2020-04-08 | Identifier: | (1S)-2,2-difluoro-N-[(1S,5R,6R)-3-{5-fluoro-2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-6-methyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide |
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![R4Y R4Y](https://data.pdbj.org/pdbjplus/data/cc/svg/R4Y.svg) | R4Y | Name: | (1S,2S)-2-cyano-N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide | Formula: | C19 H21 F N8 O2 | SMILES: | N(c1cnn(CCO)c1)c2nc(c(cn2)F)N4CC3C(C3)(C4)NC(C5C(C#N)C5)=O | InChi: | InChI=1S/C19H21FN8O2/c20-15-7-22-18(24-13-6-23-28(9-13)1-2-29)25-16(15)27-8-12-4-19(12,10-27)26-17(30)14-3-11(14)5-21/h6-7,9,11-12,14,29H,1-4,8,10H2,(H,26,30)(H,22,24,25)/t11-,12-,14+,19-/m1/s1 | Definition date: | 2020-01-30 | Last modified: | 2020-04-03 | Release date: | 2020-04-08 | Identifier: | (1S,2S)-2-cyano-N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide |
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![R5D R5D](https://data.pdbj.org/pdbjplus/data/cc/svg/R5D.svg) | R5D | Name: | (1R,2R)-2-cyano-N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide | Formula: | C19 H21 F N8 O2 | SMILES: | N(c1cnn(CCO)c1)c2nc(c(cn2)F)N4CC3C(C3)(C4)NC(C5C(C5)C#N)=O | InChi: | InChI=1S/C19H21FN8O2/c20-15-7-22-18(24-13-6-23-28(9-13)1-2-29)25-16(15)27-8-12-4-19(12,10-27)26-17(30)14-3-11(14)5-21/h6-7,9,11-12,14,29H,1-4,8,10H2,(H,26,30)(H,22,24,25)/t11-,12+,14+,19+/m0/s1 | Definition date: | 2020-01-30 | Last modified: | 2020-04-03 | Release date: | 2020-04-08 | Identifier: | (1R,2R)-2-cyano-N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide |
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![RJ7 RJ7](https://data.pdbj.org/pdbjplus/data/cc/svg/RJ7.svg) | RJ7 | Name: | ethyl (2S,3S)-2-fluoro-3-hydroxy-3-(pyridin-3-yl)propanoate | Formula: | C10 H12 F N O3 | SMILES: | c1(cnccc1)C(C(C(OCC)=O)F)O | InChi: | InChI=1S/C10H12FNO3/c1-2-15-10(14)8(11)9(13)7-4-3-5-12-6-7/h3-6,8-9,13H,2H2,1H3/t8-,9-/m0/s1 | Definition date: | 2020-02-12 | Last modified: | 2020-04-03 | Release date: | 2020-04-08 | Identifier: | ethyl (2S,3S)-2-fluoro-3-hydroxy-3-(pyridin-3-yl)propanoate |
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