![7DH 7DH](https://data.pdbj.org/pdbjplus/data/cc/svg/7DH.svg) | 7DH | Name: | (3E)-5-hydroxy-2-oxopent-3-enoic acid | Formula: | C5 H6 O4 | SMILES: | C(O)C=CC(C(=O)O)=O | InChi: | InChI=1S/C5H6O4/c6-3-1-2-4(7)5(8)9/h1-2,6H,3H2,(H,8,9)/b2-1+ | Definition date: | 2016-10-10 | Last modified: | 2018-02-16 | Release date: | 2018-02-21 | Identifier: | (3E)-5-hydroxy-2-oxopent-3-enoic acid |
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![9S4 9S4](https://data.pdbj.org/pdbjplus/data/cc/svg/9S4.svg) | 9S4 | Name: | (2~{S},3~{R},4~{R},5~{R})-3-acetamido-2-[(2~{S})-2,3-bis(oxidanyl)propyl]-5-fluoranyl-4-oxidanyl-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid | Formula: | C11 H17 F N O7 | SMILES: | O=C(O)C=1C(F)C(C(C([O+]=1)CC(CO)O)NC(=O)C)O | InChi: | InChI=1S/C11H16FNO7/c1-4(15)13-8-6(2-5(16)3-14)20-10(11(18)19)7(12)9(8)17/h5-9,14,16-17H,2-3H2,1H3,(H-,13,15,18,19)/p+1/t5-,6-,7+,8-,9-/m0/s1 | Definition date: | 2017-06-07 | Last modified: | 2018-02-16 | Release date: | 2018-02-21 | Identifier: | (2S,3R,4R,5R)-3-(acetylamino)-6-carboxy-2-[(2S)-2,3-dihydroxypropyl]-5-fluoro-4-hydroxy-2,3,4,5-tetrahydropyranium (non-preferred name) |
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![9TM 9TM](https://data.pdbj.org/pdbjplus/data/cc/svg/9TM.svg) | 9TM | Name: | (2~{R},3~{R},4~{R},5~{R})-3-acetamido-2-[(1~{R},2~{R})-1,2-bis(oxidanyl)propyl]-5-fluoranyl-4-oxidanyl-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid | Formula: | C11 H17 F N O7 | SMILES: | O=C(O)C=1C(F)C(C(C([O+]=1)C(O)C(C)O)NC(=O)C)O | InChi: | InChI=1S/C11H16FNO7/c1-3(14)7(16)10-6(13-4(2)15)8(17)5(12)9(20-10)11(18)19/h3,5-8,10,14,16-17H,1-2H3,(H-,13,15,18,19)/p+1/t3-,5-,6-,7-,8+,10-/m1/s1 | Definition date: | 2017-06-07 | Last modified: | 2018-02-16 | Release date: | 2018-02-21 | Identifier: | (2R,3R,4R,5R)-3-(acetylamino)-6-carboxy-2-[(1R,2R)-1,2-dihydroxypropyl]-5-fluoro-4-hydroxy-2,3,4,5-tetrahydropyranium (non-preferred name) |
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![9U4 9U4](https://data.pdbj.org/pdbjplus/data/cc/svg/9U4.svg) | 9U4 | Name: | 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide | Formula: | C27 H33 F2 N7 O2 | SMILES: | C1COCCC1n6c2CCN(C(NC)=O)Cc2c(N4CCCc3cc(c(cc34)C(F)F)c5cnn(c5)C)n6 | InChi: | InChI=1S/C27H33F2N7O2/c1-30-27(37)34-9-5-23-22(16-34)26(32-36(23)19-6-10-38-11-7-19)35-8-3-4-17-12-20(18-14-31-33(2)15-18)21(25(28)29)13-24(17)35/h12-15,19,25H,3-11,16H2,1-2H3,(H,30,37) | Definition date: | 2017-06-09 | Last modified: | 2018-02-16 | Release date: | 2018-02-21 | Identifier: | 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide |
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![9WM 9WM](https://data.pdbj.org/pdbjplus/data/cc/svg/9WM.svg) | 9WM | Name: | (2~{R},3~{R},5~{R})-3-acetamido-5-fluoranyl-2-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid | Formula: | C11 H17 F N O7 | SMILES: | OC(=O)C=1C(F)CC(C([O+]=1)C(O)C(CO)O)NC(=O)C | InChi: | InChI=1S/C11H16FNO7/c1-4(15)13-6-2-5(12)9(11(18)19)20-10(6)8(17)7(16)3-14/h5-8,10,14,16-17H,2-3H2,1H3,(H-,13,15,18,19)/p+1/t5-,6-,7-,8-,10-/m1/s1 | Definition date: | 2017-06-19 | Last modified: | 2018-02-16 | Release date: | 2018-02-21 | Identifier: | (2R,3R,5R)-3-(acetylamino)-6-carboxy-5-fluoro-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3,4,5-tetrahydropyranium (non-preferred name) |
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![B6M B6M](https://data.pdbj.org/pdbjplus/data/cc/svg/B6M.svg) | B6M | Name: | (1R,2S,3S,4R,6R)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-alpha-L-altropyranosyl)-beta-L-arabinofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-allopyranoside | Formula: | C23 H45 N5 O14 | SMILES: | C1(OC(C(C(C1N)O)O)CO)OC2C(CC(N)C(C2OC3OC(C(C3O)OC4C(N)C(C(C(CN)O4)O)O)CO)O)N | InChi: | InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6-,7+,8-,9+,10-,11-,12+,13+,14-,15-,16+,17-,18-,19+,20+,21+,22-,23-/m1/s1 | Definition date: | 2017-08-02 | Last modified: | 2018-02-16 | Release date: | 2018-02-21 | Identifier: | (1R,2S,3S,4R,6R)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-alpha-L-altropyranosyl)-beta-L-arabinofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-allopyranoside |
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![B9Q B9Q](https://data.pdbj.org/pdbjplus/data/cc/svg/B9Q.svg) | B9Q | Name: | ~{N}-[(1~{R},2~{S})-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(6-methoxypyridin-3-yl)propan-2-yl]cyclopropanecarboxamide | Formula: | C26 H25 F N4 O3 | SMILES: | COc1ccc(cn1)[CH](Oc2ccc3n(ncc3c2)c4ccc(F)cc4)[CH](C)NC(=O)C5CC5 | InChi: | InChI=1S/C26H25FN4O3/c1-16(30-26(32)17-3-4-17)25(18-5-12-24(33-2)28-14-18)34-22-10-11-23-19(13-22)15-29-31(23)21-8-6-20(27)7-9-21/h5-17,25H,3-4H2,1-2H3,(H,30,32)/t16-,25-/m0/s1 | Definition date: | 2017-09-28 | Last modified: | 2018-02-16 | Release date: | 2018-02-21 | Identifier: | ~{N}-[(1~{R},2~{S})-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(6-methoxypyridin-3-yl)propan-2-yl]cyclopropanecarboxamide |
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![B9T B9T](https://data.pdbj.org/pdbjplus/data/cc/svg/B9T.svg) | B9T | Name: | ~{N}-[(1~{R},2~{S})-1-(2-bromanyl-4-cyano-phenoxy)-1-(2-cyclopropylpyrimidin-5-yl)propan-2-yl]-2,2-bis(fluoranyl)propanamide | Formula: | C20 H19 Br F2 N4 O2 | SMILES: | C[CH](NC(=O)C(C)(F)F)[CH](Oc1ccc(cc1Br)C#N)c2cnc(nc2)C3CC3 | InChi: | InChI=1S/C20H19BrF2N4O2/c1-11(27-19(28)20(2,22)23)17(14-9-25-18(26-10-14)13-4-5-13)29-16-6-3-12(8-24)7-15(16)21/h3,6-7,9-11,13,17H,4-5H2,1-2H3,(H,27,28)/t11-,17-/m0/s1 | Definition date: | 2017-09-28 | Last modified: | 2018-02-16 | Release date: | 2018-02-21 | Identifier: | ~{N}-[(1~{R},2~{S})-1-(2-bromanyl-4-cyano-phenoxy)-1-(2-cyclopropylpyrimidin-5-yl)propan-2-yl]-2,2-bis(fluoranyl)propanamide |
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![B9W B9W](https://data.pdbj.org/pdbjplus/data/cc/svg/B9W.svg) | B9W | Name: | 2,2-bis(fluoranyl)-~{N}-[(1~{R},2~{S})-3-methyl-1-[1-(1-methyl-6-oxidanylidene-pyridin-3-yl)indazol-5-yl]oxy-1-phenyl-butan-2-yl]propanamide | Formula: | C27 H28 F2 N4 O3 | SMILES: | CC(C)[CH](NC(=O)C(C)(F)F)[CH](Oc1ccc2n(ncc2c1)C3=CN(C)C(=O)C=C3)c4ccccc4 | InChi: | InChI=1S/C27H28F2N4O3/c1-17(2)24(31-26(35)27(3,28)29)25(18-8-6-5-7-9-18)36-21-11-12-22-19(14-21)15-30-33(22)20-10-13-23(34)32(4)16-20/h5-17,24-25H,1-4H3,(H,31,35)/t24-,25+/m0/s1 | Definition date: | 2017-09-28 | Last modified: | 2018-02-16 | Release date: | 2018-02-21 | Identifier: | 2,2-bis(fluoranyl)-~{N}-[(1~{R},2~{S})-3-methyl-1-[1-(1-methyl-6-oxidanylidene-pyridin-3-yl)indazol-5-yl]oxy-1-phenyl-butan-2-yl]propanamide |
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![OZY OZY](https://data.pdbj.org/pdbjplus/data/cc/svg/OZY.svg) | OZY | Name: | (1R,2R,3S,4R,6S)-4,6-diamino-2-[(3-O-{2-amino-2,6-dideoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-D-glucopyranosyl}-beta-D-ribofuranosyl)oxy]-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside | Formula: | C31 H56 N7 O18 P | SMILES: | O=P(O)(O)OCc1cnc(c(c1CNCC2C(O)C(C(C(O2)OC3C(CO)OC(C3O)OC5C(OC4C(C(C(C(O4)CN)O)O)N)C(N)CC(C5O)N)N)O)O)C | InChi: | InChI=1S/C31H56N7O18P/c1-9-19(40)11(10(4-38-9)8-50-57(47,48)49)5-37-6-15-22(43)24(45)18(36)30(52-15)55-27-16(7-39)53-31(25(27)46)56-28-20(41)12(33)2-13(34)26(28)54-29-17(35)23(44)21(42)14(3-32)51-29/h4,12-18,20-31,37,39-46H,2-3,5-8,32-36H2,1H3,(H2,47,48,49)/t12-,13+,14-,15-,16-,17-,18-,20+,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+/m1/s1 | Definition date: | 2018-02-06 | Last modified: | 2018-02-16 | Release date: | 2018-02-21 | Identifier: | (1R,2R,3S,4R,6S)-4,6-diamino-2-[(3-O-{2-amino-2,6-dideoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-D-glucopyranosyl}-beta-D-ribofuranosyl)oxy]-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside |
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![BW8 BW8](https://data.pdbj.org/pdbjplus/data/cc/svg/BW8.svg) | BW8 | Name: | 2-[2-fluoranyl-4-[[2-fluoranyl-4-[2-(methylcarbamoyl)pyridin-4-yl]oxy-phenyl]carbamoylamino]phenyl]sulfanylethanoic acid | Formula: | C22 H18 F2 N4 O5 S | SMILES: | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(SCC(O)=O)c(F)c3)c(F)c2)ccn1 | InChi: | InChI=1S/C22H18F2N4O5S/c1-25-21(31)18-10-14(6-7-26-18)33-13-3-4-17(15(23)9-13)28-22(32)27-12-2-5-19(16(24)8-12)34-11-20(29)30/h2-10H,11H2,1H3,(H,25,31)(H,29,30)(H2,27,28,32) | Definition date: | 2017-10-20 | Last modified: | 2018-02-16 | Release date: | 2018-02-21 | Identifier: | 2-[2-fluoranyl-4-[[2-fluoranyl-4-[2-(methylcarbamoyl)pyridin-4-yl]oxy-phenyl]carbamoylamino]phenyl]sulfanylethanoic acid |
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![C2Y C2Y](https://data.pdbj.org/pdbjplus/data/cc/svg/C2Y.svg) | C2Y | Name: | methyl 1H-indole-3-carboxylate | Formula: | C10 H9 N O2 | SMILES: | c12ncc(c1cccc2)C(=O)OC | InChi: | InChI=1S/C10H9NO2/c1-13-10(12)8-6-11-9-5-3-2-4-7(8)9/h2-6,11H,1H3 | Definition date: | 2017-09-11 | Last modified: | 2018-02-16 | Release date: | 2018-02-21 | Identifier: | methyl 1H-indole-3-carboxylate |
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![C3J C3J](https://data.pdbj.org/pdbjplus/data/cc/svg/C3J.svg) | C3J | Name: | 5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1H-indole-3-carboxamide | Formula: | C24 H23 F2 N5 O | SMILES: | c2c1c(c(cn1)C(NC)=O)cc(c2)N5CCCc4c5cc(C(F)F)c(c3cnn(c3)C)c4 | InChi: | InChI=1S/C24H23F2N5O/c1-27-24(32)20-12-28-21-6-5-16(9-18(20)21)31-7-3-4-14-8-17(15-11-29-30(2)13-15)19(23(25)26)10-22(14)31/h5-6,8-13,23,28H,3-4,7H2,1-2H3,(H,27,32) | Definition date: | 2017-09-11 | Last modified: | 2018-02-16 | Release date: | 2018-02-21 | Identifier: | 5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1H-indole-3-carboxamide |
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![C3V C3V](https://data.pdbj.org/pdbjplus/data/cc/svg/C3V.svg) | C3V | Name: | 5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-3-methyl-1,3-benzothiazol-2(3H)-one | Formula: | C22 H20 F2 N4 O S | SMILES: | c1(cn(C)nc1)c2cc3CCCN(c3cc2C(F)F)c4cc5c(cc4)SC(N5C)=O | InChi: | InChI=1S/C22H20F2N4OS/c1-26-12-14(11-25-26)16-8-13-4-3-7-28(18(13)10-17(16)21(23)24)15-5-6-20-19(9-15)27(2)22(29)30-20/h5-6,8-12,21H,3-4,7H2,1-2H3 | Definition date: | 2017-09-11 | Last modified: | 2018-02-16 | Release date: | 2018-02-21 | Identifier: | 5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-3-methyl-1,3-benzothiazol-2(3H)-one |
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![C5J C5J](https://data.pdbj.org/pdbjplus/data/cc/svg/C5J.svg) | C5J | Name: | dicarbonimidic diamide | Formula: | C2 H5 N3 O2 | SMILES: | C(NC(N)=O)(=O)N | InChi: | InChI=1S/C2H5N3O2/c3-1(6)5-2(4)7/h(H5,3,4,5,6,7) | Definition date: | 2017-09-13 | Last modified: | 2018-02-16 | Release date: | 2018-02-21 | Identifier: | dicarbonimidic diamide |
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![C5S C5S](https://data.pdbj.org/pdbjplus/data/cc/svg/C5S.svg) | C5S | Name: | N-formyl-D-aspartic acid | Formula: | C5 H7 N O5 | SMILES: | C(C(=O)O)C(C(O)=O)NC=O | InChi: | InChI=1S/C5H7NO5/c7-2-6-3(5(10)11)1-4(8)9/h2-3H,1H2,(H,6,7)(H,8,9)(H,10,11)/t3-/m1/s1 | Definition date: | 2017-09-13 | Last modified: | 2018-02-16 | Release date: | 2018-02-21 | Identifier: | N-formyl-D-aspartic acid |
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![C7Z C7Z](https://data.pdbj.org/pdbjplus/data/cc/svg/C7Z.svg) | C7Z | Name: | (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol | Formula: | C40 H56 O2 | SMILES: | CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C[CH](O)CC1(C)C)C=CC=C(C)C=CC2=C(C)C[CH](O)CC2(C)C | InChi: | InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m0/s1 | Definition date: | 2017-11-17 | Last modified: | 2018-02-16 | Release date: | 2018-02-21 | Identifier: | (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol |
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![8SQ 8SQ](https://data.pdbj.org/pdbjplus/data/cc/svg/8SQ.svg) | 8SQ | Name: | 3-naphthalen-1-yl-~{N}-oxidanyl-propanamide | Formula: | C13 H13 N O2 | SMILES: | ONC(=O)CCc1cccc2ccccc12 | InChi: | InChI=1S/C13H13NO2/c15-13(14-16)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,16H,8-9H2,(H,14,15) | Definition date: | 2017-03-03 | Last modified: | 2018-02-16 | Release date: | 2018-02-21 | Identifier: | 3-naphthalen-1-yl-~{N}-oxidanyl-propanamide |
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![8SZ 8SZ](https://data.pdbj.org/pdbjplus/data/cc/svg/8SZ.svg) | 8SZ | Name: | (2~{S})-2,6-bis(azanyl)-~{N}-oxidanyl-hexanamide | Formula: | C6 H15 N3 O2 | SMILES: | NCCCC[CH](N)C(=O)NO | InChi: | InChI=1S/C6H15N3O2/c7-4-2-1-3-5(8)6(10)9-11/h5,11H,1-4,7-8H2,(H,9,10)/t5-/m0/s1 | Definition date: | 2017-03-03 | Last modified: | 2018-02-16 | Release date: | 2018-02-21 | Identifier: | (2~{S})-2,6-bis(azanyl)-~{N}-oxidanyl-hexanamide |
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![8YC 8YC](https://data.pdbj.org/pdbjplus/data/cc/svg/8YC.svg) | 8YC | Name: | (2S,5R)-1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethanoyl]pyrrolidine-2,5-dicarbonitrile | Formula: | C14 H20 N4 O2 | SMILES: | OCC1(CCCC1)NCC(=O)N2[CH](CC[CH]2C#N)C#N | InChi: | InChI=1S/C14H20N4O2/c15-7-11-3-4-12(8-16)18(11)13(20)9-17-14(10-19)5-1-2-6-14/h11-12,17,19H,1-6,9-10H2/t11-,12+ | Definition date: | 2017-11-08 | Last modified: | 2018-02-16 | Release date: | 2018-02-21 | Identifier: | (2~{S},5~{R})-1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethanoyl]pyrrolidine-2,5-dicarbonitrile |
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![8Z5 8Z5](https://data.pdbj.org/pdbjplus/data/cc/svg/8Z5.svg) | 8Z5 | Name: | Alpha-Bromo-3-Iodotoluene | Formula: | C7 H6 Br I | SMILES: | BrCc1cccc(I)c1 | InChi: | InChI=1S/C7H6BrI/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2 | Definition date: | 2017-03-28 | Last modified: | 2018-02-16 | Release date: | 2018-02-21 | Identifier: | 1-(bromomethyl)-3-iodanyl-benzene |
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![92E 92E](https://data.pdbj.org/pdbjplus/data/cc/svg/92E.svg) | 92E | Name: | ~{N}-[3-acetamido-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]phenyl]furan-2-carboxamide | Formula: | C24 H23 N3 O6 | SMILES: | CCOc1ccc(cc1NC(=O)c2cc(NC(C)=O)cc(NC(=O)c3occc3)c2)C(C)=O | InChi: | InChI=1S/C24H23N3O6/c1-4-32-21-8-7-16(14(2)28)12-20(21)27-23(30)17-10-18(25-15(3)29)13-19(11-17)26-24(31)22-6-5-9-33-22/h5-13H,4H2,1-3H3,(H,25,29)(H,26,31)(H,27,30) | Definition date: | 2017-04-05 | Last modified: | 2018-02-16 | Release date: | 2018-02-21 | Identifier: | ~{N}-[3-acetamido-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]phenyl]furan-2-carboxamide |
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![8GK 8GK](https://data.pdbj.org/pdbjplus/data/cc/svg/8GK.svg) | 8GK | Name: | ~{N}-oxidanylnaphthalene-1-carboxamide | Formula: | C11 H9 N O2 | SMILES: | ONC(=O)c1cccc2ccccc12 | InChi: | InChI=1S/C11H9NO2/c13-11(12-14)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,14H,(H,12,13) | Definition date: | 2017-02-06 | Last modified: | 2018-02-16 | Release date: | 2018-02-21 | Identifier: | ~{N}-oxidanylnaphthalene-1-carboxamide |
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![95C 95C](https://data.pdbj.org/pdbjplus/data/cc/svg/95C.svg) | 95C | Name: | 4-nitro-2-[(phenylacetyl)amino]benzamide | Formula: | C15 H13 N3 O4 | SMILES: | c1(C(=O)N)ccc(cc1NC(Cc2ccccc2)=O)[N+]([O-])=O | InChi: | InChI=1S/C15H13N3O4/c16-15(20)12-7-6-11(18(21)22)9-13(12)17-14(19)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,16,20)(H,17,19) | Definition date: | 2017-12-21 | Last modified: | 2018-02-16 | Release date: | 2018-02-21 | Identifier: | 4-nitro-2-[(phenylacetyl)amino]benzamide |
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![95N 95N](https://data.pdbj.org/pdbjplus/data/cc/svg/95N.svg) | 95N | Name: | 1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-bromophenyl)ethyl]-~{N}-methyl-piperidin-4-amine | Formula: | C16 H23 Br N6 | SMILES: | CN(CCc1ccc(Br)cc1)C2CCN(CC2)c3[nH]nc(N)n3 | InChi: | InChI=1S/C16H23BrN6/c1-22(9-6-12-2-4-13(17)5-3-12)14-7-10-23(11-8-14)16-19-15(18)20-21-16/h2-5,14H,6-11H2,1H3,(H3,18,19,20,21) | Definition date: | 2017-04-24 | Last modified: | 2018-02-16 | Release date: | 2018-02-21 | Identifier: | 1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-bromophenyl)ethyl]-~{N}-methyl-piperidin-4-amine |
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