![7IW 7IW](https://data.pdbj.org/pdbjplus/data/cc/svg/7IW.svg) | 7IW | Name: | N~1~-{(1R,2R,3S)-2-(carbamimidamidomethyl)-3-[(3R)-3,4-dihydroxybutyl]-5-[(methylamino)methyl]-2,3-dihydro-1H-inden-1-yl}-N~2~-(4-chloro-3-fluorophenyl)ethanediamide | Formula: | C25 H32 Cl F N6 O4 | SMILES: | Clc1ccc(cc1F)NC(=O)C(=O)NC1c2ccc(cc2C(CCC(O)CO)C1CNC(=N)N)CNC | InChi: | InChI=1S/C25H32ClFN6O4/c1-30-10-13-2-5-17-18(8-13)16(6-4-15(35)12-34)19(11-31-25(28)29)22(17)33-24(37)23(36)32-14-3-7-20(26)21(27)9-14/h2-3,5,7-9,15-16,19,22,30,34-35H,4,6,10-12H2,1H3,(H,32,36)(H,33,37)(H4,28,29,31)/t15-,16-,19+,22+/m1/s1 | Definition date: | 2021-08-12 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | N~1~-{(1R,2R,3S)-2-(carbamimidamidomethyl)-3-[(3R)-3,4-dihydroxybutyl]-5-[(methylamino)methyl]-2,3-dihydro-1H-inden-1-yl}-N~2~-(4-chloro-3-fluorophenyl)ethanediamide |
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![65M 65M](https://data.pdbj.org/pdbjplus/data/cc/svg/65M.svg) | 65M | Name: | 3-{[benzyl(methyl)carbamoyl]amino}benzene-1-sulfonamide | Formula: | C15 H17 N3 O3 S | SMILES: | O=S(N)(=O)c1cc(NC(=O)N(C)Cc2ccccc2)ccc1 | InChi: | InChI=1S/C15H17N3O3S/c1-18(11-12-6-3-2-4-7-12)15(19)17-13-8-5-9-14(10-13)22(16,20)21/h2-10H,11H2,1H3,(H,17,19)(H2,16,20,21) | Definition date: | 2021-08-02 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | 3-{[benzyl(methyl)carbamoyl]amino}benzene-1-sulfonamide |
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![66I 66I](https://data.pdbj.org/pdbjplus/data/cc/svg/66I.svg) | 66I | Name: | {(2R,3S,4R,5R)-5-[4-amino-3-(difluoromethoxy)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl}methyl [(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]sulfamate (non-preferred name) | Formula: | C20 H23 F2 N7 O9 S | SMILES: | Oc1ccc(cc1)CC(N)C(=O)NS(=O)(=O)OCC1OC(n2nc(OC(F)F)c3c(N)ncnc32)C(O)C1O | InChi: | InChI=1S/C20H23F2N7O9S/c21-20(22)38-18-12-15(24)25-7-26-16(12)29(27-18)19-14(32)13(31)11(37-19)6-36-39(34,35)28-17(33)10(23)5-8-1-3-9(30)4-2-8/h1-4,7,10-11,13-14,19-20,30-32H,5-6,23H2,(H,28,33)(H2,24,25,26)/t10-,11+,13+,14+,19+/m0/s1 | Definition date: | 2021-08-02 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | {(2R,3S,4R,5R)-5-[4-amino-3-(difluoromethoxy)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl}methyl [(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]sulfamate (non-preferred name) |
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![69X 69X](https://data.pdbj.org/pdbjplus/data/cc/svg/69X.svg) | 69X | Name: | 5'-O-[(S)-{[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy}(hydroxy)phosphoryl]adenosine | Formula: | C19 H23 N6 O9 P | SMILES: | Oc1ccc(cc1)CC(N)C(=O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O | InChi: | InChI=1S/C19H23N6O9P/c20-11(5-9-1-3-10(26)4-2-9)19(29)34-35(30,31)32-6-12-14(27)15(28)18(33-12)25-8-24-13-16(21)22-7-23-17(13)25/h1-4,7-8,11-12,14-15,18,26-28H,5-6,20H2,(H,30,31)(H2,21,22,23)/t11-,12+,14+,15+,18+/m0/s1 | Definition date: | 2021-08-02 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | 5'-O-[(S)-{[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy}(hydroxy)phosphoryl]adenosine |
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![EJ3 EJ3](https://data.pdbj.org/pdbjplus/data/cc/svg/EJ3.svg) | EJ3 | Name: | 3-[(1-ethanoyl-5-methoxy-indol-3-yl)carbonylamino]-4-fluoranyl-5-(1-methylpyrazol-4-yl)benzoic acid | Formula: | C23 H19 F N4 O5 | SMILES: | COc1ccc2n(cc(C(=O)Nc3cc(cc(c3F)c4cnn(C)c4)C(O)=O)c2c1)C(C)=O | InChi: | InChI=1S/C23H19FN4O5/c1-12(29)28-11-18(17-8-15(33-3)4-5-20(17)28)22(30)26-19-7-13(23(31)32)6-16(21(19)24)14-9-25-27(2)10-14/h4-11H,1-3H3,(H,26,30)(H,31,32) | Definition date: | 2022-04-20 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | 3-[(1-ethanoyl-5-methoxy-indol-3-yl)carbonylamino]-4-fluoranyl-5-(1-methylpyrazol-4-yl)benzoic acid |
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![7OW 7OW](https://data.pdbj.org/pdbjplus/data/cc/svg/7OW.svg) | 7OW | Name: | 1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethyloxy)ethyl]benzimidazol-5-yl]pyridin-2-one | Formula: | C22 H24 F3 N3 O3 | SMILES: | CN1C=C(C=C(C)C1=O)c2ccc3nc(C4CCOCC4)n(CCOC(F)(F)F)c3c2 | InChi: | InChI=1S/C22H24F3N3O3/c1-14-11-17(13-27(2)21(14)29)16-3-4-18-19(12-16)28(7-10-31-22(23,24)25)20(26-18)15-5-8-30-9-6-15/h3-4,11-13,15H,5-10H2,1-2H3 | Definition date: | 2022-02-22 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | 1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethyloxy)ethyl]benzimidazol-5-yl]pyridin-2-one |
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![7SR 7SR](https://data.pdbj.org/pdbjplus/data/cc/svg/7SR.svg) | 7SR | Name: | (6S,9aS)-N-[(4-bromophenyl)methyl]-6-[(2S)-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide | Formula: | C30 H33 Br N4 O3 | SMILES: | CC[CH](C)[CH]1N2[CH](CN(Cc3cccc4ccccc34)C1=O)N(CCC2=O)C(=O)NCc5ccc(Br)cc5 | InChi: | InChI=1S/C30H33BrN4O3/c1-3-20(2)28-29(37)33(18-23-9-6-8-22-7-4-5-10-25(22)23)19-26-34(16-15-27(36)35(26)28)30(38)32-17-21-11-13-24(31)14-12-21/h4-14,20,26,28H,3,15-19H2,1-2H3,(H,32,38)/t20-,26+,28-/m0/s1 | Definition date: | 2021-10-21 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | (6~{S},9~{a}~{S})-~{N}-[(4-bromophenyl)methyl]-6-[(2~{S})-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide |
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![7U0 7U0](https://data.pdbj.org/pdbjplus/data/cc/svg/7U0.svg) | 7U0 | Name: | 4-(2-azanylethoxy)-N2,N6-bis[4-(2-pyrrolidin-1-ylethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide | Formula: | C39 H44 N8 O5 | SMILES: | NCCOc1cc(nc(c1)C(=O)Nc2cc(OCCN3CCCC3)c4ccccc4n2)C(=O)Nc5cc(OCCN6CCCC6)c7ccccc7n5 | InChi: | InChI=1S/C39H44N8O5/c40-13-20-50-27-23-32(38(48)44-36-25-34(28-9-1-3-11-30(28)42-36)51-21-18-46-14-5-6-15-46)41-33(24-27)39(49)45-37-26-35(29-10-2-4-12-31(29)43-37)52-22-19-47-16-7-8-17-47/h1-4,9-12,23-26H,5-8,13-22,40H2,(H,42,44,48)(H,43,45,49) | Definition date: | 2022-03-01 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | 4-(2-azanylethoxy)-~{N}2,~{N}6-bis[4-(2-pyrrolidin-1-ylethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide |
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![7V8 7V8](https://data.pdbj.org/pdbjplus/data/cc/svg/7V8.svg) | 7V8 | Name: | 4-(2-azanylethoxy)-N2,N6-bis[4-(2-azanylethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide | Formula: | C31 H32 N8 O5 | SMILES: | NCCOc1cc(nc(c1)C(=O)Nc2cc(OCCN)c3ccccc3n2)C(=O)Nc4cc(OCCN)c5ccccc5n4 | InChi: | InChI=1S/C31H32N8O5/c32-9-12-42-19-15-24(30(40)38-28-17-26(43-13-10-33)20-5-1-3-7-22(20)36-28)35-25(16-19)31(41)39-29-18-27(44-14-11-34)21-6-2-4-8-23(21)37-29/h1-8,15-18H,9-14,32-34H2,(H,36,38,40)(H,37,39,41) | Synonyms: | Pyridostatin | Definition date: | 2022-03-01 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | 4-(2-azanylethoxy)-~{N}2,~{N}6-bis[4-(2-azanylethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide |
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![7VH 7VH](https://data.pdbj.org/pdbjplus/data/cc/svg/7VH.svg) | 7VH | Name: | 5-chloranyl-N-[5-chloranyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-(1-ethylsulfonylindol-3-yl)pyrimidin-2-amine | Formula: | C31 H37 Cl2 N7 O3 S | SMILES: | CC[S](=O)(=O)n1cc(c2ccccc12)c3nc(Nc4cc(Cl)c(cc4OC)N5CCC(CC5)N6CCN(C)CC6)ncc3Cl | InChi: | InChI=1S/C31H37Cl2N7O3S/c1-4-44(41,42)40-20-23(22-7-5-6-8-27(22)40)30-25(33)19-34-31(36-30)35-26-17-24(32)28(18-29(26)43-3)39-11-9-21(10-12-39)38-15-13-37(2)14-16-38/h5-8,17-21H,4,9-16H2,1-3H3,(H,34,35,36) | Definition date: | 2021-10-27 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | 5-chloranyl-~{N}-[5-chloranyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-(1-ethylsulfonylindol-3-yl)pyrimidin-2-amine |
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![0VL 0VL](https://data.pdbj.org/pdbjplus/data/cc/svg/0VL.svg) | 0VL | Name: | benzyl {2-[(5S)-5-hydroxy-4-oxo-6-{[2-(pyridin-4-yl)ethyl]carbamoyl}-4,5-dihydropyrimidin-2-yl]propan-2-yl}carbamate | Formula: | C23 H25 N5 O5 | SMILES: | OC1=C(N=C(NC1=O)C(C)(C)NC(=O)OCc1ccccc1)C(=O)NCCc1ccncc1 | InChi: | InChI=1S/C23H25N5O5/c1-23(2,28-22(32)33-14-16-6-4-3-5-7-16)21-26-17(18(29)20(31)27-21)19(30)25-13-10-15-8-11-24-12-9-15/h3-9,11-12,29H,10,13-14H2,1-2H3,(H,25,30)(H,28,32)(H,26,27,31) | Definition date: | 2021-06-17 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | benzyl [2-(5-hydroxy-6-oxo-4-{[2-(pyridin-4-yl)ethyl]carbamoyl}-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate |
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![09Y 09Y](https://data.pdbj.org/pdbjplus/data/cc/svg/09Y.svg) | 09Y | Name: | 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide | Formula: | C20 H20 N4 O4 | SMILES: | OC1=C(N=C(NC1=O)c1ccccc1C)C(=O)NCCc1ccnc(OC)c1 | InChi: | InChI=1S/C20H20N4O4/c1-12-5-3-4-6-14(12)18-23-16(17(25)20(27)24-18)19(26)22-10-8-13-7-9-21-15(11-13)28-2/h3-7,9,11,25H,8,10H2,1-2H3,(H,22,26)(H,23,24,27) | Definition date: | 2021-06-07 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide |
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![0AW 0AW](https://data.pdbj.org/pdbjplus/data/cc/svg/0AW.svg) | 0AW | Name: | ~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide | Formula: | C21 H19 N3 O2 S | SMILES: | NC(=N)c1sc(CNC(=O)c2ccc3OCCc3c2)c(c1)c4ccccc4 | InChi: | InChI=1S/C21H19N3O2S/c22-20(23)18-11-16(13-4-2-1-3-5-13)19(27-18)12-24-21(25)15-6-7-17-14(10-15)8-9-26-17/h1-7,10-11H,8-9,12H2,(H3,22,23)(H,24,25) | Definition date: | 2021-06-03 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | ~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide |
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![KZD KZD](https://data.pdbj.org/pdbjplus/data/cc/svg/KZD.svg) | KZD | Name: | (2S)-tert-butoxy[(4S)-7-(4,4-dimethylpiperidin-1-yl)-8-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,5-dimethylimidazo[1,2-a]pyridin-6-yl]acetic acid | Formula: | C36 H44 F N3 O4 | SMILES: | O=C(O)C(OC(C)(C)C)c1c(c(c2nc(C)cn2c1C)c1ccc(OCCc2ccc(F)cc2)cc1)N1CCC(C)(C)CC1 | InChi: | InChI=1S/C36H44FN3O4/c1-23-22-40-24(2)29(32(34(41)42)44-35(3,4)5)31(39-19-17-36(6,7)18-20-39)30(33(40)38-23)26-10-14-28(15-11-26)43-21-16-25-8-12-27(37)13-9-25/h8-15,22,32H,16-21H2,1-7H3,(H,41,42)/t32-/m0/s1 | Definition date: | 2022-02-25 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | (2S)-tert-butoxy[(4S)-7-(4,4-dimethylpiperidin-1-yl)-8-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,5-dimethylimidazo[1,2-a]pyridin-6-yl]acetic acid |
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![M7I M7I](https://data.pdbj.org/pdbjplus/data/cc/svg/M7I.svg) | M7I | Name: | 5-{2-[4-(trifluoromethyl)phenyl]ethyl}-1,4-dihydropyrazine-2,3-dione | Formula: | C13 H11 F3 N2 O2 | SMILES: | O=C1NC(CCc2ccc(cc2)C(F)(F)F)=CNC1=O | InChi: | InChI=1S/C13H11F3N2O2/c14-13(15,16)9-4-1-8(2-5-9)3-6-10-7-17-11(19)12(20)18-10/h1-2,4-5,7H,3,6H2,(H,17,19)(H,18,20) | Definition date: | 2022-03-14 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | 5-{2-[4-(trifluoromethyl)phenyl]ethyl}-1,4-dihydropyrazine-2,3-dione |
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![M89 M89](https://data.pdbj.org/pdbjplus/data/cc/svg/M89.svg) | M89 | Name: | (3R)-3-(5,6-dioxo-1,4,5,6-tetrahydropyrazin-2-yl)-2,3-dihydro-1,4-benzoxathiine-7-carbonitrile | Formula: | C13 H9 N3 O3 S | SMILES: | O=C1NC=C(NC1=O)C1COc2cc(ccc2S1)C#N | InChi: | InChI=1S/C13H9N3O3S/c14-4-7-1-2-10-9(3-7)19-6-11(20-10)8-5-15-12(17)13(18)16-8/h1-3,5,11H,6H2,(H,15,17)(H,16,18)/t11-/m0/s1 | Definition date: | 2022-03-14 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | (3R)-3-(5,6-dioxo-1,4,5,6-tetrahydropyrazin-2-yl)-2,3-dihydro-1,4-benzoxathiine-7-carbonitrile |
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![4J1 4J1](https://data.pdbj.org/pdbjplus/data/cc/svg/4J1.svg) | 4J1 | Name: | (2R,3R,4S,5S,6R)-2-[4-[1-[4-[6-[(Z)-hydroxyiminomethyl]-5-oxidanyl-pyridin-2-yl]butyl]-1,2,3-triazol-4-yl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | Formula: | C22 H33 N5 O8 | SMILES: | OC[CH]1O[CH](OCCCCc2cn(CCCCc3ccc(O)c(C=NO)n3)nn2)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C22H33N5O8/c28-13-18-19(30)20(31)21(32)22(35-18)34-10-4-2-6-15-12-27(26-25-15)9-3-1-5-14-7-8-17(29)16(24-14)11-23-33/h7-8,11-12,18-22,28-33H,1-6,9-10,13H2/b23-11-/t18-,19-,20+,21-,22-/m1/s1 | Definition date: | 2021-07-02 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | (2~{R},3~{R},4~{S},5~{S},6~{R})-2-[4-[1-[4-[6-[(~{Z})-hydroxyiminomethyl]-5-oxidanyl-pyridin-2-yl]butyl]-1,2,3-triazol-4-yl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
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![MJN MJN](https://data.pdbj.org/pdbjplus/data/cc/svg/MJN.svg) | MJN | Name: | N-[(2R)-1-(methylamino)-3-{1-[(4-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetyl]piperidin-4-yl}-1-oxopropan-2-yl]-5-phenylpyridine-2-carboxamide | Formula: | C33 H35 N5 O4 | SMILES: | O=C(Cc1ccc2NC(=O)C=C(C)c2c1)N1CCC(CC(NC(=O)c2ccc(cn2)c2ccccc2)C(=O)NC)CC1 | InChi: | InChI=1S/C33H35N5O4/c1-21-16-30(39)36-27-10-8-23(17-26(21)27)19-31(40)38-14-12-22(13-15-38)18-29(32(41)34-2)37-33(42)28-11-9-25(20-35-28)24-6-4-3-5-7-24/h3-11,16-17,20,22,29H,12-15,18-19H2,1-2H3,(H,34,41)(H,36,39)(H,37,42)/t29-/m1/s1 | Definition date: | 2022-03-16 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | N-[(2R)-1-(methylamino)-3-{1-[(4-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetyl]piperidin-4-yl}-1-oxopropan-2-yl]-5-phenylpyridine-2-carboxamide |
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![N8R N8R](https://data.pdbj.org/pdbjplus/data/cc/svg/N8R.svg) | N8R | Name: | Dyclonine | Formula: | C18 H27 N O2 | SMILES: | CCCCOc1ccc(cc1)C(=O)CCN1CCCCC1 | InChi: | InChI=1S/C18H27NO2/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19/h7-10H,2-6,11-15H2,1H3 | Synonyms: | 1-(4-butoxyphenyl)-3-(piperidin-1-yl)propan-1-one | Definition date: | 2022-03-25 | Last modified: | 2022-06-03 | Release date: | 2022-06-08 | Identifier: | 1-(4-butoxyphenyl)-3-(piperidin-1-yl)propan-1-one |
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![VJQ VJQ](https://data.pdbj.org/pdbjplus/data/cc/svg/VJQ.svg) | VJQ | Name: | 3-[(S)-dioxidanyl(phenyl)methyl]-4-methyl-2-oxidanyl-1H-1,4-benzodiazepin-5-one | Formula: | C17 H16 N2 O4 | SMILES: | CN1C(=O)c2ccccc2NC(=C1[CH](OO)c3ccccc3)O | InChi: | InChI=1S/C17H16N2O4/c1-19-14(15(23-22)11-7-3-2-4-8-11)16(20)18-13-10-6-5-9-12(13)17(19)21/h2-10,15,18,20,22H,1H3/t15-/m0/s1 | Definition date: | 2021-05-20 | Last modified: | 2022-05-27 | Release date: | 2022-06-01 | Identifier: | 3-[(~{S})-dioxidanyl(phenyl)methyl]-4-methyl-2-oxidanyl-1~{H}-1,4-benzodiazepin-5-one |
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![VJT VJT](https://data.pdbj.org/pdbjplus/data/cc/svg/VJT.svg) | VJT | Name: | (2-(4-(beta-L-fucopyranosylethynyl)phenyl)-2-methylpropan-1-amine | Formula: | C18 H25 N O4 | SMILES: | C[CH]1O[CH](C#Cc2ccc(cc2)C(C)(C)CN)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C18H25NO4/c1-11-15(20)17(22)16(21)14(23-11)9-6-12-4-7-13(8-5-12)18(2,3)10-19/h4-5,7-8,11,14-17,20-22H,10,19H2,1-3H3/t11-,14+,15+,16+,17+/m0/s1 | Synonyms: | (2~{R},3~{S},4~{R},5~{S},6~{S})-2-[2-[4-(1-azanyl-2-methyl-propan-2-yl)phenyl]ethynyl]-6-methyl-oxane-3,4,5-triol | Definition date: | 2021-05-20 | Last modified: | 2022-05-27 | Release date: | 2022-06-01 | Identifier: | (2~{R},3~{S},4~{R},5~{S},6~{S})-2-[2-[4-(1-azanyl-2-methyl-propan-2-yl)phenyl]ethynyl]-6-methyl-oxane-3,4,5-triol |
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![VJW VJW](https://data.pdbj.org/pdbjplus/data/cc/svg/VJW.svg) | VJW | Name: | 5-(3-aminophenyl)furan-2-carboxamido-(beta-L-fucopyranose) | Formula: | C17 H20 N2 O6 | SMILES: | C[CH]1O[CH](NC(=O)c2oc(cc2)c3cccc(N)c3)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C17H20N2O6/c1-8-13(20)14(21)15(22)17(24-8)19-16(23)12-6-5-11(25-12)9-3-2-4-10(18)7-9/h2-8,13-15,17,20-22H,18H2,1H3,(H,19,23)/t8-,13+,14+,15-,17-/m0/s1 | Synonyms: | 5-(3-aminophenyl)-~{N}-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]furan-2-carboxamide | Definition date: | 2021-05-20 | Last modified: | 2022-05-27 | Release date: | 2022-06-01 | Identifier: | 5-(3-aminophenyl)-~{N}-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]furan-2-carboxamide |
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![VK8 VK8](https://data.pdbj.org/pdbjplus/data/cc/svg/VK8.svg) | VK8 | Name: | 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(phenylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one | Formula: | C25 H20 N4 O3 | SMILES: | Oc1ccc(CN2N=C3N(C=C(N=C3Cc4ccccc4)c5ccc(O)cc5)C2=O)cc1 | InChi: | InChI=1S/C25H20N4O3/c30-20-10-6-18(7-11-20)15-29-25(32)28-16-23(19-8-12-21(31)13-9-19)26-22(24(28)27-29)14-17-4-2-1-3-5-17/h1-13,16,30-31H,14-15H2 | Definition date: | 2021-05-21 | Last modified: | 2022-05-27 | Release date: | 2022-06-01 | Identifier: | 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(phenylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one |
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![X1V X1V](https://data.pdbj.org/pdbjplus/data/cc/svg/X1V.svg) | X1V | Name: | 5-chloranyl-N-[[(4S,15R)-2,5,13,16-tetrakis(oxidanylidene)-15-propan-2-yl-9,10-dithia-3,6,14,17-tetrazabicyclo[17.3.1]tricosa-1(22),19(23),20-trien-4-yl]methyl]thiophene-2-carboxamide | Formula: | C26 H32 Cl N5 O5 S3 | SMILES: | CC(C)[CH]1NC(=O)CCSSCCNC(=O)[CH](CNC(=O)c2sc(Cl)cc2)NC(=O)c3cccc(CNC1=O)c3 | InChi: | InChI=1S/C26H32ClN5O5S3/c1-15(2)22-26(37)29-13-16-4-3-5-17(12-16)23(34)31-18(14-30-25(36)19-6-7-20(27)40-19)24(35)28-9-11-39-38-10-8-21(33)32-22/h3-7,12,15,18,22H,8-11,13-14H2,1-2H3,(H,28,35)(H,29,37)(H,30,36)(H,31,34)(H,32,33)/t18-,22+/m0/s1 | Synonyms: | macrocycle X1vE | Definition date: | 2020-05-26 | Last modified: | 2022-05-27 | Release date: | 2022-06-01 | Identifier: | 5-chloranyl-~{N}-[[(4~{S},15~{R})-2,5,13,16-tetrakis(oxidanylidene)-15-propan-2-yl-9,10-dithia-3,6,14,17-tetrazabicyclo[17.3.1]tricosa-1(22),19(23),20-trien-4-yl]methyl]thiophene-2-carboxamide |
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![V7Z V7Z](https://data.pdbj.org/pdbjplus/data/cc/svg/V7Z.svg) | V7Z | Name: | methanesulfonamide | Formula: | C H5 N O2 S | SMILES: | C[S](N)(=O)=O | InChi: | InChI=1S/CH5NO2S/c1-5(2,3)4/h1H3,(H2,2,3,4) | Synonyms: | 72879 | Definition date: | 2021-04-26 | Last modified: | 2022-05-27 | Release date: | 2022-06-01 | Identifier: | methanesulfonamide |
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