![V0B V0B](https://data.pdbj.org/pdbjplus/data/cc/svg/V0B.svg) | V0B | Name: | N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidine-2-carboxamide | Formula: | C18 H15 N5 O2 | SMILES: | Cc1ccc2nc(CNC(=O)C3=CC(=O)N4C=CC=CC4=N3)cn2c1 | InChi: | InChI=1S/C18H15N5O2/c1-12-5-6-15-20-13(11-22(15)10-12)9-19-18(25)14-8-17(24)23-7-3-2-4-16(23)21-14/h2-8,10-11H,9H2,1H3,(H,19,25) | Synonyms: | ~{N}-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidine-2-carboxamide | Definition date: | 2021-03-31 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | ~{N}-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidine-2-carboxamide |
|
![UME UME](https://data.pdbj.org/pdbjplus/data/cc/svg/UME.svg) | UME | Name: | N-ethyl-2-(1-methyl-1H-1,2,3-triazol-4-yl)-6-(1-phenylethyl)isonicotinamide | Formula: | C19 H21 N5 O | SMILES: | CCNC(=O)c1cc(nc(c1)c2cn(C)nn2)[CH](C)c3ccccc3 | InChi: | InChI=1S/C19H21N5O/c1-4-20-19(25)15-10-16(13(2)14-8-6-5-7-9-14)21-17(11-15)18-12-24(3)23-22-18/h5-13H,4H2,1-3H3,(H,20,25)/t13-/m0/s1 | Synonyms: | ~{N}-ethyl-2-(1-methyl-1,2,3-triazol-4-yl)-6-(1-phenylethyl)pyridine-4-carboxamide | Definition date: | 2021-03-02 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | ~{N}-ethyl-2-(1-methyl-1,2,3-triazol-4-yl)-6-(1-phenylethyl)pyridine-4-carboxamide |
|
![UO2 UO2](https://data.pdbj.org/pdbjplus/data/cc/svg/UO2.svg) | UO2 | Name: | (2~{S})-2-azanyl-~{N}-[3-[3-(dimethylsulfamoyl)phenyl]-2~{H}-indazol-5-yl]propanamide | Formula: | C18 H21 N5 O3 S | SMILES: | C[CH](N)C(=O)Nc1ccc2n[nH]c(c3cccc(c3)[S](=O)(=O)N(C)C)c2c1 | InChi: | InChI=1S/C18H21N5O3S/c1-11(19)18(24)20-13-7-8-16-15(10-13)17(22-21-16)12-5-4-6-14(9-12)27(25,26)23(2)3/h4-11H,19H2,1-3H3,(H,20,24)(H,21,22)/t11-/m0/s1 | Definition date: | 2021-03-02 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | (2~{S})-2-azanyl-~{N}-[3-[3-(dimethylsulfamoyl)phenyl]-2~{H}-indazol-5-yl]propanamide |
|
![YE4 YE4](https://data.pdbj.org/pdbjplus/data/cc/svg/YE4.svg) | YE4 | Name: | N-(4-chlorobenzyl)-1-methyl-6-(morpholinomethyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide | Formula: | C23 H24 Cl N3 O3 | SMILES: | c4(ccc(CNC(C1=CN(C)c2ccc(cc2C1=O)CN3CCOCC3)=O)cc4)Cl | InChi: | InChI=1S/C23H24ClN3O3/c1-26-15-20(23(29)25-13-16-2-5-18(24)6-3-16)22(28)19-12-17(4-7-21(19)26)14-27-8-10-30-11-9-27/h2-7,12,15H,8-11,13-14H2,1H3,(H,25,29) | Definition date: | 2021-02-23 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | N-[(4-chlorophenyl)methyl]-1-methyl-6-[(morpholin-4-yl)methyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide |
|
![URW URW](https://data.pdbj.org/pdbjplus/data/cc/svg/URW.svg) | URW | Name: | 2-[[5-[[2-[bis(fluoranyl)methoxy]phenyl]methyl-[(2~{R})-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-1~{H}-imidazol-2-yl]carbonyl]isoindole-5-carboxamide | Formula: | C26 H24 F2 N6 O5 | SMILES: | CNC(=O)[CH](C)N(Cc1ccccc1OC(F)F)C(=O)c2[nH]c(nc2)C(=O)n3cc4ccc(cc4c3)C(N)=O | InChi: | InChI=1S/C26H24F2N6O5/c1-14(23(36)30-2)34(13-17-5-3-4-6-20(17)39-26(27)28)24(37)19-10-31-22(32-19)25(38)33-11-16-8-7-15(21(29)35)9-18(16)12-33/h3-12,14,26H,13H2,1-2H3,(H2,29,35)(H,30,36)(H,31,32)/t14-/m1/s1 | Definition date: | 2021-03-10 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | 2-[[5-[[2-[bis(fluoranyl)methoxy]phenyl]methyl-[(2~{R})-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-1~{H}-imidazol-2-yl]carbonyl]isoindole-5-carboxamide |
|
![SWV SWV](https://data.pdbj.org/pdbjplus/data/cc/svg/SWV.svg) | SWV | Name: | ~{N}-[3-[(2-fluorophenyl)sulfamoyl]phenyl]pyrazine-2-carboxamide | Formula: | C17 H13 F N4 O3 S | SMILES: | Fc1ccccc1N[S](=O)(=O)c2cccc(NC(=O)c3cnccn3)c2 | InChi: | InChI=1S/C17H13FN4O3S/c18-14-6-1-2-7-15(14)22-26(24,25)13-5-3-4-12(10-13)21-17(23)16-11-19-8-9-20-16/h1-11,22H,(H,21,23) | Definition date: | 2020-03-13 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | ~{N}-[3-[(2-fluorophenyl)sulfamoyl]phenyl]pyrazine-2-carboxamide |
|
![SZG SZG](https://data.pdbj.org/pdbjplus/data/cc/svg/SZG.svg) | SZG | Name: | ~{N}-[5-[[4-[bis(fluoranyl)methoxy]phenyl]sulfamoyl]-2-chloranyl-phenyl]-3,5-bis(fluoranyl)benzamide | Formula: | C20 H13 Cl F4 N2 O4 S | SMILES: | FC(F)Oc1ccc(N[S](=O)(=O)c2ccc(Cl)c(NC(=O)c3cc(F)cc(F)c3)c2)cc1 | InChi: | InChI=1S/C20H13ClF4N2O4S/c21-17-6-5-16(10-18(17)26-19(28)11-7-12(22)9-13(23)8-11)32(29,30)27-14-1-3-15(4-2-14)31-20(24)25/h1-10,20,27H,(H,26,28) | Definition date: | 2020-03-13 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | ~{N}-[5-[[4-[bis(fluoranyl)methoxy]phenyl]sulfamoyl]-2-chloranyl-phenyl]-3,5-bis(fluoranyl)benzamide |
|
![SZJ SZJ](https://data.pdbj.org/pdbjplus/data/cc/svg/SZJ.svg) | SZJ | Name: | ~{N}-[3-[[4-[bis(fluoranyl)methoxy]phenyl]sulfamoyl]phenyl]-3,5-bis(fluoranyl)benzamide | Formula: | C20 H14 F4 N2 O4 S | SMILES: | FC(F)Oc1ccc(N[S](=O)(=O)c2cccc(NC(=O)c3cc(F)cc(F)c3)c2)cc1 | InChi: | InChI=1S/C20H14F4N2O4S/c21-13-8-12(9-14(22)10-13)19(27)25-16-2-1-3-18(11-16)31(28,29)26-15-4-6-17(7-5-15)30-20(23)24/h1-11,20,26H,(H,25,27) | Definition date: | 2020-03-13 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | ~{N}-[3-[[4-[bis(fluoranyl)methoxy]phenyl]sulfamoyl]phenyl]-3,5-bis(fluoranyl)benzamide |
|
![SZP SZP](https://data.pdbj.org/pdbjplus/data/cc/svg/SZP.svg) | SZP | Name: | N-(2-chloro-5-{[4-(trifluoromethoxy)phenyl]sulfamoyl}phenyl)-3,5-difluorobenzamide | Formula: | C20 H12 Cl F5 N2 O4 S | SMILES: | N(S(c1cc(c(Cl)cc1)NC(=O)c2cc(cc(c2)F)F)(=O)=O)c3ccc(cc3)OC(F)(F)F | InChi: | InChI=1S/C20H12ClF5N2O4S/c21-17-6-5-16(10-18(17)27-19(29)11-7-12(22)9-13(23)8-11)33(30,31)28-14-1-3-15(4-2-14)32-20(24,25)26/h1-10,28H,(H,27,29) | Definition date: | 2020-03-13 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | N-(2-chloro-5-{[4-(trifluoromethoxy)phenyl]sulfamoyl}phenyl)-3,5-difluorobenzamide |
|
![TUW TUW](https://data.pdbj.org/pdbjplus/data/cc/svg/TUW.svg) | TUW | Name: | 6-[[(1~{R})-1-(4-chlorophenyl)-7-fluoranyl-1-[[1-(hydroxymethyl)cyclopropyl]methoxy]-3-oxidanylidene-5-(2-oxidanylpropan-2-yl)isoindol-2-yl]methyl]pyridine-3-carbonitrile | Formula: | C29 H27 Cl F N3 O4 | SMILES: | CC(C)(O)c1cc(F)c2c(c1)C(=O)N(Cc3ccc(cn3)C#N)[C]2(OCC4(CO)CC4)c5ccc(Cl)cc5 | InChi: | InChI=1S/C29H27ClFN3O4/c1-27(2,37)20-11-23-25(24(31)12-20)29(19-4-6-21(30)7-5-19,38-17-28(16-35)9-10-28)34(26(23)36)15-22-8-3-18(13-32)14-33-22/h3-8,11-12,14,35,37H,9-10,15-17H2,1-2H3/t29-/m1/s1 | Definition date: | 2021-01-13 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | 6-[[(1~{R})-1-(4-chlorophenyl)-7-fluoranyl-1-[[1-(hydroxymethyl)cyclopropyl]methoxy]-3-oxidanylidene-5-(2-oxidanylpropan-2-yl)isoindol-2-yl]methyl]pyridine-3-carbonitrile |
|
![TUZ TUZ](https://data.pdbj.org/pdbjplus/data/cc/svg/TUZ.svg) | TUZ | Name: | 1-[[(1~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-1-(4-chlorophenyl)-7-fluoranyl-3-oxidanylidene-5-(2-oxidanylpropan-2-yl)isoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide | Formula: | C28 H26 Cl2 F N3 O4 | SMILES: | CC(C)(O)c1cc(F)c2c(c1)C(=O)N(Cc3ccc(Cl)cn3)[C]2(OCC4(CC4)C(N)=O)c5ccc(Cl)cc5 | InChi: | InChI=1S/C28H26Cl2FN3O4/c1-26(2,37)17-11-21-23(22(31)12-17)28(16-3-5-18(29)6-4-16,38-15-27(9-10-27)25(32)36)34(24(21)35)14-20-8-7-19(30)13-33-20/h3-8,11-13,37H,9-10,14-15H2,1-2H3,(H2,32,36)/t28-/m1/s1 | Definition date: | 2021-01-13 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | 1-[[(1~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-1-(4-chlorophenyl)-7-fluoranyl-3-oxidanylidene-5-(2-oxidanylpropan-2-yl)isoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide |
|
![TV5 TV5](https://data.pdbj.org/pdbjplus/data/cc/svg/TV5.svg) | TV5 | Name: | (3~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-3-(4-chlorophenyl)-4-fluoranyl-3-[(1-oxidanylcyclopropyl)methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one | Formula: | C27 H25 Cl2 F N2 O4 | SMILES: | CC(C)(O)c1cc(F)c2c(c1)C(=O)N(Cc3ccc(Cl)cn3)[C]2(OCC4(O)CC4)c5ccc(Cl)cc5 | InChi: | InChI=1S/C27H25Cl2FN2O4/c1-25(2,34)17-11-21-23(22(30)12-17)27(36-15-26(35)9-10-26,16-3-5-18(28)6-4-16)32(24(21)33)14-20-8-7-19(29)13-31-20/h3-8,11-13,34-35H,9-10,14-15H2,1-2H3/t27-/m1/s1 | Definition date: | 2021-01-13 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | (3~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-3-(4-chlorophenyl)-4-fluoranyl-3-[(1-oxidanylcyclopropyl)methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one |
|
![TVH TVH](https://data.pdbj.org/pdbjplus/data/cc/svg/TVH.svg) | TVH | Name: | (3~{R})-4-chloranyl-3-(4-chlorophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-2-[(4-nitrophenyl)methyl]isoindol-1-one | Formula: | C26 H22 Cl2 N2 O5 | SMILES: | OCC1(CC1)CO[C]2(N(Cc3ccc(cc3)[N+]([O-])=O)C(=O)c4cccc(Cl)c24)c5ccc(Cl)cc5 | InChi: | InChI=1S/C26H22Cl2N2O5/c27-19-8-6-18(7-9-19)26(35-16-25(15-31)12-13-25)23-21(2-1-3-22(23)28)24(32)29(26)14-17-4-10-20(11-5-17)30(33)34/h1-11,31H,12-16H2/t26-/m1/s1 | Definition date: | 2021-01-14 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | (3~{R})-4-chloranyl-3-(4-chlorophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-2-[(4-nitrophenyl)methyl]isoindol-1-one |
|
![TVK TVK](https://data.pdbj.org/pdbjplus/data/cc/svg/TVK.svg) | TVK | Name: | (3~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-3-(4-chlorophenyl)-4-fluoranyl-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one | Formula: | C28 H27 Cl2 F N2 O4 | SMILES: | CC(C)(O)c1cc(F)c2c(c1)C(=O)N(Cc3ccc(Cl)cn3)[C]2(OCC4(CO)CC4)c5ccc(Cl)cc5 | InChi: | InChI=1S/C28H27Cl2FN2O4/c1-26(2,36)18-11-22-24(23(31)12-18)28(17-3-5-19(29)6-4-17,37-16-27(15-34)9-10-27)33(25(22)35)14-21-8-7-20(30)13-32-21/h3-8,11-13,34,36H,9-10,14-16H2,1-2H3/t28-/m1/s1 | Definition date: | 2021-01-14 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | (3~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-3-(4-chlorophenyl)-4-fluoranyl-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one |
|
![TXM TXM](https://data.pdbj.org/pdbjplus/data/cc/svg/TXM.svg) | TXM | Name: | (2S)-3-methyl-2-{5-methyl-2-[(thiophen-2-yl)ethynyl]-1-benzofuran-3-yl}butanoic acid | Formula: | C20 H18 O3 S | SMILES: | c3cc1c(c(C(C(C)C)C(O)=O)c(o1)C#Cc2sccc2)cc3C | InChi: | InChI=1S/C20H18O3S/c1-12(2)18(20(21)22)19-15-11-13(3)6-8-16(15)23-17(19)9-7-14-5-4-10-24-14/h4-6,8,10-12,18H,1-3H3,(H,21,22)/t18-/m0/s1 | Definition date: | 2020-04-02 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | (2S)-3-methyl-2-{5-methyl-2-[(thiophen-2-yl)ethynyl]-1-benzofuran-3-yl}butanoic acid |
|
![U07 U07](https://data.pdbj.org/pdbjplus/data/cc/svg/U07.svg) | U07 | Name: | (2~5~S)-2~3~,2~5~,2~6~-trihydroxy[1~1~,2~1~:2~4~,3~1~-terphenyl]-2~2~(2~5~H)-one | Formula: | C18 H14 O4 | SMILES: | C2(O)=C(c1ccccc1)C(C(=C(C2O)c3ccccc3)O)=O | InChi: | InChI=1S/C18H14O4/c19-15-13(11-7-3-1-4-8-11)16(20)18(22)14(17(15)21)12-9-5-2-6-10-12/h1-10,15,19-21H/t15-/m0/s1 | Definition date: | 2020-04-06 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | (2~5~S)-2~3~,2~5~,2~6~-trihydroxy[1~1~,2~1~:2~4~,3~1~-terphenyl]-2~2~(2~5~H)-one |
|
![U0H U0H](https://data.pdbj.org/pdbjplus/data/cc/svg/U0H.svg) | U0H | Name: | ~{N}-~{tert}-butyl-2-methoxy-~{N}'-(3-methoxy-2-methyl-phenyl)carbonyl-pyridine-3-carbohydrazide | Formula: | C20 H25 N3 O4 | SMILES: | COc1cccc(C(=O)NN(C(=O)c2cccnc2OC)C(C)(C)C)c1C | InChi: | InChI=1S/C20H25N3O4/c1-13-14(9-7-11-16(13)26-5)17(24)22-23(20(2,3)4)19(25)15-10-8-12-21-18(15)27-6/h7-12H,1-6H3,(H,22,24) | Definition date: | 2021-01-15 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | ~{N}-~{tert}-butyl-2-methoxy-~{N}'-(3-methoxy-2-methyl-phenyl)carbonyl-pyridine-3-carbohydrazide |
|
![U3Z U3Z](https://data.pdbj.org/pdbjplus/data/cc/svg/U3Z.svg) | U3Z | Name: | (3~{R})-3-(4-chlorophenyl)-2-[(4-ethynylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one | Formula: | C31 H30 Cl N O4 | SMILES: | CC(C)(O)c1ccc2c(c1)C(=O)N(Cc3ccc(cc3)C#C)[C]2(OCC4(CO)CC4)c5ccc(Cl)cc5 | InChi: | InChI=1S/C31H30ClNO4/c1-4-21-5-7-22(8-6-21)18-33-28(35)26-17-24(29(2,3)36)11-14-27(26)31(33,23-9-12-25(32)13-10-23)37-20-30(19-34)15-16-30/h1,5-14,17,34,36H,15-16,18-20H2,2-3H3/t31-/m1/s1 | Definition date: | 2021-01-20 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | (3~{R})-3-(4-chlorophenyl)-2-[(4-ethynylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one |
|
![U5J U5J](https://data.pdbj.org/pdbjplus/data/cc/svg/U5J.svg) | U5J | Name: | [(2R)-3-{[2-(carboxymethoxy)benzene-1-carbonyl]amino}-2-methoxypropyl](hydroxy)mercury | Formula: | C13 H17 Hg N O6 | SMILES: | c1cc(C(=O)NCC(C[Hg]O)OC)c(cc1)OCC(O)=O | InChi: | InChI=1S/C13H16NO5.Hg.H2O/c1-9(18-2)7-14-13(17)10-5-3-4-6-11(10)19-8-12(15)16 | Definition date: | 2020-04-23 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | [(2R)-3-{[2-(carboxymethoxy)benzene-1-carbonyl]amino}-2-methoxypropyl](hydroxy)mercury |
|
![U61 U61](https://data.pdbj.org/pdbjplus/data/cc/svg/U61.svg) | U61 | Name: | 2,6-anhydro-1,4-dideoxy-1-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-4-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-L-manno-heptitol | Formula: | C23 H23 F N6 O4 | SMILES: | c1c(ccc(c1)F)c2cn(nn2)CC3C(O)C(C(C(O3)CO)O)n4cc(nn4)c5ccccc5 | InChi: | InChI=1S/C23H23FN6O4/c24-16-8-6-15(7-9-16)17-10-29(27-25-17)12-19-22(32)21(23(33)20(13-31)34-19)30-11-18(26-28-30)14-4-2-1-3-5-14/h1-11,19-23,31-33H,12-13H2/t19-,20+,21+,22-,23-/m0/s1 | Definition date: | 2020-04-23 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | 2,6-anhydro-1,4-dideoxy-1-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-4-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-L-manno-heptitol |
|
![U7B U7B](https://data.pdbj.org/pdbjplus/data/cc/svg/U7B.svg) | U7B | Name: | 2'-deoxy-2'2'-difluorodeoxycytidine | Formula: | C9 H12 F2 N3 O7 P | SMILES: | NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)C2(F)F | InChi: | InChI=1S/C9H12F2N3O7P/c10-9(11)6(15)4(3-20-22(17,18)19)21-7(9)14-2-1-5(12)13-8(14)16/h1-2,4,6-7,15H,3H2,(H2,12,13,16)(H2,17,18,19)/t4-,6-,7-/m1/s1 | Synonyms: | [(2~{R},3~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4,4-bis(fluoranyl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite | Definition date: | 2021-01-27 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | [(2~{R},3~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4,4-bis(fluoranyl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
|
![U8Q U8Q](https://data.pdbj.org/pdbjplus/data/cc/svg/U8Q.svg) | U8Q | Name: | 4-[4-(trifluoromethyl)phenoxy]piperidine | Formula: | C12 H14 F3 N O | SMILES: | FC(F)(F)c1ccc(OC2CCNCC2)cc1 | InChi: | InChI=1S/C12H14F3NO/c13-12(14,15)9-1-3-10(4-2-9)17-11-5-7-16-8-6-11/h1-4,11,16H,5-8H2 | Definition date: | 2021-02-02 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | 4-[4-(trifluoromethyl)phenoxy]piperidine |
|
![U9B U9B](https://data.pdbj.org/pdbjplus/data/cc/svg/U9B.svg) | U9B | Name: | (1R,3S)-3-(4-ammoniobutyl)-1-benzyl-1,4-azaphosphinan-1-ium-3-carboxylate 4,4-dioxide | Formula: | C16 H27 N2 O4 P | SMILES: | [NH3+]CCCC[C]1(C[NH+](CC[P]1(O)=O)Cc2ccccc2)C(O)=O | InChi: | InChI=1S/C16H25N2O4P/c17-9-5-4-8-16(15(19)20)13-18(10-11-23(16,21)22)12-14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13,17H2,(H,19,20)(H,21,22)/p+2/t16-/m0/s1 | Synonyms: | 4-[(1~{R},3~{S})-3-carboxy-4-oxidanyl-4-oxidanylidene-1-(phenylmethyl)-1,4$l^{5}-azaphosphinan-1-ium-3-yl]butylazanium | Definition date: | 2021-02-04 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | 4-[(1~{R},3~{S})-3-carboxy-4-oxidanyl-4-oxidanylidene-1-(phenylmethyl)-1,4$l^{5}-azaphosphinan-1-ium-3-yl]butylazanium |
|
![U9K U9K](https://data.pdbj.org/pdbjplus/data/cc/svg/U9K.svg) | U9K | Name: | (1R,3S)-3-(4-ammoniobutyl)-1-(4-fluoro-2-(1-methyl-1H-imidazol-5-yl)benzyl)-1,4-azaphosphinan-1-ium-3-carboxylate 4,4-dioxide | Formula: | C20 H30 F N4 O4 P | SMILES: | Cn1cncc1c2cc(F)ccc2C[NH+]3CC[P](O)(=O)[C](CCCC[NH3+])(C3)C(O)=O | InChi: | InChI=1S/C20H28FN4O4P/c1-24-14-23-11-18(24)17-10-16(21)5-4-15(17)12-25-8-9-30(28,29)20(13-25,19(26)27)6-2-3-7-22/h4-5,10-11,14H,2-3,6-9,12-13,22H2,1H3,(H,26,27)(H,28,29)/p+2/t20-/m0/s1 | Synonyms: | 4-[(1~{R},3~{S})-3-carboxy-1-[[4-fluoranyl-2-(3-methylimidazol-4-yl)phenyl]methyl]-4-oxidanyl-4-oxidanylidene-1,4$l^{5}-azaphosphinan-1-ium-3-yl]butylazanium | Definition date: | 2021-02-07 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | 4-[(1~{R},3~{S})-3-carboxy-1-[[4-fluoranyl-2-(3-methylimidazol-4-yl)phenyl]methyl]-4-oxidanyl-4-oxidanylidene-1,4$l^{5}-azaphosphinan-1-ium-3-yl]butylazanium |
|
![FN9 FN9](https://data.pdbj.org/pdbjplus/data/cc/svg/FN9.svg) | FN9 | Name: | 3,5-dimethyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]pyrrolo[3,2-d]pyrimidin-4-one | Formula: | C20 H25 N5 O | SMILES: | CN1C[CH](C[CH](C1)c2ccccc2)NC3=Nc4ccn(C)c4C(=O)N3C | InChi: | InChI=1S/C20H25N5O/c1-23-12-15(14-7-5-4-6-8-14)11-16(13-23)21-20-22-17-9-10-24(2)18(17)19(26)25(20)3/h4-10,15-16H,11-13H2,1-3H3,(H,21,22)/t15-,16+/m0/s1 | Definition date: | 2020-06-08 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | 3,5-dimethyl-2-[[(3~{R},5~{R})-1-methyl-5-phenyl-piperidin-3-yl]amino]pyrrolo[3,2-d]pyrimidin-4-one |
|