 | | S2U | | Name: | ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-methoxyphenoxy)-2-methyl-propanamide | | Formula: | C22 H23 N3 O3 S | | SMILES: | COc1ccc(OC(C)(C)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N)cc1 | | InChi: | InChI=1S/C22H23N3O3S/c1-22(2,28-18-9-7-17(27-3)8-10-18)21(26)25-16-6-4-5-14(11-16)15-12-19(20(23)24)29-13-15/h4-13H,1-3H3,(H3,23,24)(H,25,26) | | Definition date: | 2022-12-09 | | Last modified: | 2023-07-28 | | Release date: | 2023-08-02 | | Identifier: | ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-methoxyphenoxy)-2-methyl-propanamide |
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 | | S3I | | Name: | ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-ethanoylphenoxy)-2-methyl-propanamide | | Formula: | C23 H23 N3 O3 S | | SMILES: | CC(=O)c1ccc(OC(C)(C)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N)cc1 | | InChi: | InChI=1S/C23H23N3O3S/c1-14(27)15-7-9-19(10-8-15)29-23(2,3)22(28)26-18-6-4-5-16(11-18)17-12-20(21(24)25)30-13-17/h4-13H,1-3H3,(H3,24,25)(H,26,28) | | Definition date: | 2022-12-09 | | Last modified: | 2023-07-28 | | Release date: | 2023-08-02 | | Identifier: | ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-ethanoylphenoxy)-2-methyl-propanamide |
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 | | S3U | | Name: | ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-phenoxy-cyclohexane-1-carboxamide | | Formula: | C24 H25 N3 O2 S | | SMILES: | NC(=N)c1scc(c1)c2cccc(NC(=O)C3(CCCCC3)Oc4ccccc4)c2 | | InChi: | InChI=1S/C24H25N3O2S/c25-22(26)21-15-18(16-30-21)17-8-7-9-19(14-17)27-23(28)24(12-5-2-6-13-24)29-20-10-3-1-4-11-20/h1,3-4,7-11,14-16H,2,5-6,12-13H2,(H3,25,26)(H,27,28) | | Definition date: | 2022-12-09 | | Last modified: | 2023-07-28 | | Release date: | 2023-08-02 | | Identifier: | ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-phenoxy-cyclohexane-1-carboxamide |
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 | | AV8 | | Name: | 2-carboxamido-2-deacetyl-chelocardin | | Formula: | C21 H20 N2 O7 | | SMILES: | Cc1ccc2c(C)c3C[CH]4[CH](N)C(=C(C(N)=O)C(=O)[C]4(O)C(=O)c3c(O)c2c1O)O | | InChi: | InChI=1S/C21H20N2O7/c1-6-3-4-8-7(2)9-5-10-14(22)17(26)13(20(23)29)19(28)21(10,30)18(27)12(9)16(25)11(8)15(6)24/h3-4,10,14,24-26,30H,5,22H2,1-2H3,(H2,23,29)/t10-,14+,21-/m1/s1 | | Synonyms: | (4S,4aR,12aR)-4-azanyl-6,9-dimethyl-3,10,11,12a-tetrakis(oxidanyl)-1,12-bis(oxidanylidene)-4a,5-dihydro-4H-tetracene-2-carboxamide | | Definition date: | 2017-08-24 | | Last modified: | 2023-07-28 | | Release date: | 2023-08-02 | | Identifier: | (4~{S},4~{a}~{R},12~{a}~{R})-4-azanyl-6,9-dimethyl-3,10,11,12~{a}-tetrakis(oxidanyl)-1,12-bis(oxidanylidene)-4~{a},5-dihydro-4~{H}-tetracene-2-carboxamide |
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 | | SOI | | Name: | ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4-(4-chloranylphenoxy)piperidine-4-carboxamide | | Formula: | C23 H23 Cl N4 O2 S | | SMILES: | NC(=N)c1scc(c1)c2cccc(NC(=O)C3(CCNCC3)Oc4ccc(Cl)cc4)c2 | | InChi: | InChI=1S/C23H23ClN4O2S/c24-17-4-6-19(7-5-17)30-23(8-10-27-11-9-23)22(29)28-18-3-1-2-15(12-18)16-13-20(21(25)26)31-14-16/h1-7,12-14,27H,8-11H2,(H3,25,26)(H,28,29) | | Definition date: | 2022-12-19 | | Last modified: | 2023-07-28 | | Release date: | 2023-08-02 | | Identifier: | ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4-(4-chloranylphenoxy)piperidine-4-carboxamide |
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 | | SSX | | Name: | 4-[(2~{R})-3-azanyl-2-methyl-propyl]-7-methoxy-1-benzothiophene-2-carboximidamide | | Formula: | C14 H19 N3 O S | | SMILES: | COc1ccc(C[CH](C)CN)c2cc(sc12)C(N)=N | | InChi: | InChI=1S/C14H19N3OS/c1-8(7-15)5-9-3-4-11(18-2)13-10(9)6-12(19-13)14(16)17/h3-4,6,8H,5,7,15H2,1-2H3,(H3,16,17)/t8-/m1/s1 | | Definition date: | 2022-12-19 | | Last modified: | 2023-07-28 | | Release date: | 2023-08-02 | | Identifier: | 4-[(2~{R})-3-azanyl-2-methyl-propyl]-7-methoxy-1-benzothiophene-2-carboximidamide |
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 | | SWM | | Name: | 2-bromanyl-2,2-bis(fluoranyl)-~{N}-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethanamide | | Formula: | C9 H5 Br F2 N4 O S | | SMILES: | FC(F)(Br)C(=O)Nc1sc(nn1)c2ccncc2 | | InChi: | InChI=1S/C9H5BrF2N4OS/c10-9(11,12)7(17)14-8-16-15-6(18-8)5-1-3-13-4-2-5/h1-4H,(H,14,16,17) | | Definition date: | 2022-12-19 | | Last modified: | 2023-07-28 | | Release date: | 2023-08-02 | | Identifier: | 2-bromanyl-2,2-bis(fluoranyl)-~{N}-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethanamide |
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 | | TG9 | | Name: | 5-(cyclohexylamino)-4-phenyl-thiophene-2-carboximidamide | | Formula: | C17 H21 N3 S | | SMILES: | NC(=N)c1sc(NC2CCCCC2)c(c1)c3ccccc3 | | InChi: | InChI=1S/C17H21N3S/c18-16(19)15-11-14(12-7-3-1-4-8-12)17(21-15)20-13-9-5-2-6-10-13/h1,3-4,7-8,11,13,20H,2,5-6,9-10H2,(H3,18,19) | | Definition date: | 2023-01-05 | | Last modified: | 2023-07-28 | | Release date: | 2023-08-02 | | Identifier: | 5-(cyclohexylamino)-4-phenyl-thiophene-2-carboximidamide |
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 | | TK0 | | Name: | (3S)-N-[(1-benzothiophen-5-yl)methyl]-1-[6-(4-{2-[(2E)-3-(pyridin-3-yl)prop-2-enamido]ethyl}phenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxamide | | Formula: | C37 H34 N6 O2 S2 | | SMILES: | O=C(NCc1ccc2sccc2c1)C1CCCN(C1)c1ncnc2sc(cc12)c1ccc(CCNC(=O)/C=C/c2cccnc2)cc1 | | InChi: | InChI=1S/C37H34N6O2S2/c44-34(12-8-26-3-1-15-38-21-26)39-16-13-25-5-9-28(10-6-25)33-20-31-35(41-24-42-37(31)47-33)43-17-2-4-30(23-43)36(45)40-22-27-7-11-32-29(19-27)14-18-46-32/h1,3,5-12,14-15,18-21,24,30H,2,4,13,16-17,22-23H2,(H,39,44)(H,40,45)/b12-8+/t30-/m0/s1 | | Definition date: | 2022-07-25 | | Last modified: | 2023-07-28 | | Release date: | 2023-08-02 | | Identifier: | (3S)-N-[(1-benzothiophen-5-yl)methyl]-1-[6-(4-{2-[(2E)-3-(pyridin-3-yl)prop-2-enamido]ethyl}phenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxamide |
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 | | U0L | | Name: | ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-chloranyl-3-fluoranyl-phenoxy)-2-methyl-propanamide | | Formula: | C21 H19 Cl F N3 O2 S | | SMILES: | CC(C)(Oc1ccc(Cl)c(F)c1)C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N | | InChi: | InChI=1S/C21H19ClFN3O2S/c1-21(2,28-15-6-7-16(22)17(23)10-15)20(27)26-14-5-3-4-12(8-14)13-9-18(19(24)25)29-11-13/h3-11H,1-2H3,(H3,24,25)(H,26,27) | | Definition date: | 2023-01-18 | | Last modified: | 2023-07-28 | | Release date: | 2023-08-02 | | Identifier: | ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-chloranyl-3-fluoranyl-phenoxy)-2-methyl-propanamide |
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 | | U3B | | Name: | Omadacycline | | Formula: | C29 H40 N4 O7 | | SMILES: | CN(C)[CH]1[CH]2C[CH]3Cc4c(cc(CNCC(C)(C)C)c(O)c4C(=C3C(=O)[C]2(O)C(=C(C(N)=O)C1=O)O)O)N(C)C | | InChi: | InChI=1S/C29H40N4O7/c1-28(2,3)12-31-11-14-10-17(32(4)5)15-8-13-9-16-21(33(6)7)24(36)20(27(30)39)26(38)29(16,40)25(37)18(13)23(35)19(15)22(14)34/h10,13,16,21,31,34-35,38,40H,8-9,11-12H2,1-7H3,(H2,30,39)/t13-,16-,21-,29-/m0/s1 | | Synonyms: | Omadacycline | | Definition date: | 2023-01-24 | | Last modified: | 2023-07-28 | | Release date: | 2023-08-02 | | Identifier: | (4~{S},4~{a}~{S},5~{a}~{R},12~{a}~{R})-4,7-bis(dimethylamino)-9-[(2,2-dimethylpropylamino)methyl]-1,10,11,12~{a}-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-4~{a},5,5~{a},6-tetrahydro-4~{H}-tetracene-2-carboxamide |
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 | | V0R | | Name: | 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{S})-oxidanyl(pyridin-3-yl)methyl]phenol | | Formula: | C17 H16 N2 O3 | | SMILES: | Cc1onc(C)c1c2cc(O)cc(c2)[CH](O)c3cccnc3 | | InChi: | InChI=1S/C17H16N2O3/c1-10-16(11(2)22-19-10)13-6-14(8-15(20)7-13)17(21)12-4-3-5-18-9-12/h3-9,17,20-21H,1-2H3/t17-/m1/s1 | | Definition date: | 2023-02-20 | | Last modified: | 2023-07-28 | | Release date: | 2023-08-02 | | Identifier: | 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{S})-oxidanyl(pyridin-3-yl)methyl]phenol |
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 | | P8F | | Name: | Pentacycline | | Formula: | C29 H30 F N3 O7 | | SMILES: | CN(C)[CH]1[CH]2C[CH]3Cc4cc5ccc(CN6CC(F)C6)cc5c(O)c4C(=O)C3=C(O)[C]2(O)C(=O)C(=C1O)C(N)=O | | InChi: | InChI=1S/C29H30FN3O7/c1-32(2)22-18-8-15-7-14-6-13-4-3-12(9-33-10-16(30)11-33)5-17(13)23(34)19(14)24(35)20(15)26(37)29(18,40)27(38)21(25(22)36)28(31)39/h3-6,15-16,18,22,34,36-37,40H,7-11H2,1-2H3,(H2,31,39)/t15-,18-,22-,29-/m0/s1 | | Synonyms: | (4S,4aS,5aR,14aS)-4-(dimethylamino)-10-[(3-fluoranylazetidin-1-yl)methyl]-3,12,14,14a-tetrakis(oxidanyl)-1,13-bis(oxidanylidene)-4a,5,5a,6-tetrahydro-4H-pentacene-2-carboxamide | | Definition date: | 2023-02-09 | | Last modified: | 2023-07-25 | | Release date: | 2023-07-26 | | Identifier: | (4~{S},4~{a}~{S},5~{a}~{R},14~{a}~{S})-4-(dimethylamino)-10-[(3-fluoranylazetidin-1-yl)methyl]-3,12,14,14~{a}-tetrakis(oxidanyl)-1,13-bis(oxidanylidene)-4~{a},5,5~{a},6-tetrahydro-4~{H}-pentacene-2-carboxamide |
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 | | ZRU | | Name: | (8S)-N-cyclopropyl-5-[(2-methoxypyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide | | Formula: | C17 H19 N7 O2 | | SMILES: | COc1ncccc1Nc1cc(NC)n2ncc(c2n1)C(=O)NC1CC1 | | InChi: | InChI=1S/C17H19N7O2/c1-18-14-8-13(22-12-4-3-7-19-17(12)26-2)23-15-11(9-20-24(14)15)16(25)21-10-5-6-10/h3-4,7-10,18H,5-6H2,1-2H3,(H,21,25)(H,22,23) | | Definition date: | 2023-03-28 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | (8S)-N-cyclopropyl-5-[(2-methoxypyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide |
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 | | ZS3 | | Name: | (8S)-N-[(1R,2S)-2-fluorocyclopropyl]-5-{[(1M,2'M)-3'-fluoro-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide | | Formula: | C21 H18 F2 N8 O2 | | SMILES: | Fc1cccnc1N1C=CC=C(Nc2cc(NC)n3ncc(c3n2)C(=O)NC2CC2F)C1=O | | InChi: | InChI=1S/C21H18F2N8O2/c1-24-17-9-16(29-18-11(10-26-31(17)18)20(32)28-15-8-13(15)23)27-14-5-3-7-30(21(14)33)19-12(22)4-2-6-25-19/h2-7,9-10,13,15,24H,8H2,1H3,(H,27,29)(H,28,32)/t13-,15+/m0/s1 | | Definition date: | 2023-03-28 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | (8S)-N-[(1R,2S)-2-fluorocyclopropyl]-5-{[(1M,2'M)-3'-fluoro-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide |
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 | | ZSB | | Name: | (8S)-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-{[(1P,2'P)-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide | | Formula: | C23 H24 N8 O3 | | SMILES: | COC1CCC1NC(=O)c1cnn2c(cc(nc12)NC1=CC=CN(c2ccccn2)C1=O)NC | | InChi: | InChI=1S/C23H24N8O3/c1-24-20-12-18(27-16-6-5-11-30(23(16)33)19-7-3-4-10-25-19)29-21-14(13-26-31(20)21)22(32)28-15-8-9-17(15)34-2/h3-7,10-13,15,17,24H,8-9H2,1-2H3,(H,27,29)(H,28,32)/t15-,17-/m1/s1 | | Synonyms: | TAK-279 | | Definition date: | 2023-03-28 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | (8S)-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-{[(1P,2'P)-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide |
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 | | ZTQ | | Name: | (2S)-2-[([1,1'-biphenyl]-4-yl)oxy]propanoic acid | | Formula: | C15 H14 O3 | | SMILES: | CC(Oc1ccc(cc1)c1ccccc1)C(=O)O | | InChi: | InChI=1S/C15H14O3/c1-11(15(16)17)18-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,16,17)/t11-/m0/s1 | | Definition date: | 2023-07-05 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | (2S)-2-[([1,1'-biphenyl]-4-yl)oxy]propanoic acid |
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 | | ZU7 | | Name: | N-(4-fluorophenyl)-2-(piperazin-1-yl)acetamide | | Formula: | C12 H16 F N3 O | | SMILES: | O=C(CN1CCNCC1)Nc1ccc(F)cc1 | | InChi: | InChI=1S/C12H16FN3O/c13-10-1-3-11(4-2-10)15-12(17)9-16-7-5-14-6-8-16/h1-4,14H,5-9H2,(H,15,17) | | Definition date: | 2023-07-05 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | N-(4-fluorophenyl)-2-(piperazin-1-yl)acetamide |
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 | | ZUC | | Name: | 3-fluoro-N-(2-hydroxy-6-methylphenyl)pyridine-4-carboxamide | | Formula: | C13 H11 F N2 O2 | | SMILES: | O=C(Nc1c(C)cccc1O)c1ccncc1F | | InChi: | InChI=1S/C13H11FN2O2/c1-8-3-2-4-11(17)12(8)16-13(18)9-5-6-15-7-10(9)14/h2-7,17H,1H3,(H,16,18) | | Definition date: | 2023-07-05 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | 3-fluoro-N-(2-hydroxy-6-methylphenyl)pyridine-4-carboxamide |
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 | | ZUG | | Name: | N,N-dimethylpyridine-3-sulfonamide | | Formula: | C7 H10 N2 O2 S | | SMILES: | O=S(=O)(c1cccnc1)N(C)C | | InChi: | InChI=1S/C7H10N2O2S/c1-9(2)12(10,11)7-4-3-5-8-6-7/h3-6H,1-2H3 | | Definition date: | 2023-07-05 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | N,N-dimethylpyridine-3-sulfonamide |
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 | | ZUW | | Name: | 1-(2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)ethan-1-one | | Formula: | C11 H13 N O2 | | SMILES: | CC(=O)N1Cc2ccccc2OCC1 | | InChi: | InChI=1S/C11H13NO2/c1-9(13)12-6-7-14-11-5-3-2-4-10(11)8-12/h2-5H,6-8H2,1H3 | | Definition date: | 2023-07-05 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | 1-(2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)ethan-1-one |
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 | | ZUZ | | Name: | methyl N-(cyclohexanecarbonyl)glycinate | | Formula: | C10 H17 N O3 | | SMILES: | O=C(NCC(=O)OC)C1CCCCC1 | | InChi: | InChI=1S/C10H17NO3/c1-14-9(12)7-11-10(13)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,11,13) | | Definition date: | 2023-07-05 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | methyl N-(cyclohexanecarbonyl)glycinate |
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 | | ZV2 | | Name: | 2-(2-azanyl-1,3-thiazol-3-yl)-~{N}-(4-fluorophenyl)ethanamide | | Formula: | C11 H11 F N3 O S | | SMILES: | Nc1scc[n]1CC(=O)Nc2ccc(F)cc2 | | InChi: | InChI=1S/C11H11FN3OS/c12-8-1-3-9(4-2-8)14-10(16)7-15-5-6-17-11(15)13/h1-6H,7,13H2,(H,14,16) | | Definition date: | 2023-07-05 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | 2-(2-azanyl-1,3-thiazol-3-yl)-~{N}-(4-fluorophenyl)ethanamide |
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 | | ZV5 | | Name: | (5R)-1,3,7-triazaspiro[4.5]decane-2,4-dione | | Formula: | C7 H11 N3 O2 | | SMILES: | O=C1NC(=O)NC21CCCNC2 | | InChi: | InChI=1S/C7H11N3O2/c11-5-7(10-6(12)9-5)2-1-3-8-4-7/h8H,1-4H2,(H2,9,10,11,12)/t7-/m1/s1 | | Definition date: | 2023-07-05 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | (5R)-1,3,7-triazaspiro[4.5]decane-2,4-dione |
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 | | ZV8 | | Name: | 2-tert-butyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine | | Formula: | C11 H17 N3 | | SMILES: | CC(C)(C)c1ncc2CNCCc2n1 | | InChi: | InChI=1S/C11H17N3/c1-11(2,3)10-13-7-8-6-12-5-4-9(8)14-10/h7,12H,4-6H2,1-3H3 | | Definition date: | 2023-07-05 | | Last modified: | 2023-07-21 | | Release date: | 2023-07-26 | | Identifier: | 2-tert-butyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine |
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