 | | K2F | | Name: | 2'-methoxyethyl-adenosine-5'-thiophosphate | | Formula: | C13 H20 N5 O7 P S | | SMILES: | COCCO[CH]1[CH](O)[CH](CO[P](O)(O)=S)O[CH]1n2cnc3c(N)ncnc23 | | InChi: | InChI=1S/C13H20N5O7PS/c1-22-2-3-23-10-9(19)7(4-24-26(20,21)27)25-13(10)18-6-17-8-11(14)15-5-16-12(8)18/h5-7,9-10,13,19H,2-4H2,1H3,(H2,14,15,16)(H2,20,21,27)/t7-,9-,10-,13-/m1/s1 | | Synonyms: | (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[bis(oxidanyl)phosphinothioyloxymethyl]-4-(2-methoxyethoxy)oxolan-3-ol | | Definition date: | 2022-05-16 | | Last modified: | 2022-09-09 | | Release date: | 2022-09-14 | | Identifier: | (2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-2-[bis(oxidanyl)phosphinothioyloxymethyl]-4-(2-methoxyethoxy)oxolan-3-ol |
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 | | K39 | | Name: | 2'-methoxyethyl-guanosine-5'-thiophosphate | | Formula: | C13 H20 N5 O8 P S | | SMILES: | COCCO[CH]1[CH](O)[CH](CO[P](O)(O)=S)O[CH]1n2cnc3C(=O)NC(=Nc23)N | | InChi: | InChI=1S/C13H20N5O8PS/c1-23-2-3-24-9-8(19)6(4-25-27(21,22)28)26-12(9)18-5-15-7-10(18)16-13(14)17-11(7)20/h5-6,8-9,12,19H,2-4H2,1H3,(H2,21,22,28)(H3,14,16,17,20)/t6-,8-,9-,12-/m1/s1 | | Synonyms: | 2-azanyl-9-[(2R,3R,4R,5R)-5-[bis(oxidanyl)phosphinothioyloxymethyl]-3-(2-methoxyethoxy)-4-oxidanyl-oxolan-2-yl]-1H-purin-6-one | | Definition date: | 2022-05-17 | | Last modified: | 2022-09-09 | | Release date: | 2022-09-14 | | Identifier: | 2-azanyl-9-[(2~{R},3~{R},4~{R},5~{R})-5-[bis(oxidanyl)phosphinothioyloxymethyl]-3-(2-methoxyethoxy)-4-oxidanyl-oxolan-2-yl]-1~{H}-purin-6-one |
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 | | UHE | | Name: | (S)-2-mercapto-N-(4-methoxyphenyl)-4-methylpentanamide | | Formula: | C13 H19 N O2 S | | SMILES: | COc1ccc(NC(=O)[CH](S)CC(C)C)cc1 | | InChi: | InChI=1S/C13H19NO2S/c1-9(2)8-12(17)13(15)14-10-4-6-11(16-3)7-5-10/h4-7,9,12,17H,8H2,1-3H3,(H,14,15)/t12-/m0/s1 | | Synonyms: | (2~{S})-~{N}-(4-methoxyphenyl)-4-methyl-2-sulfanyl-pentanamide | | Definition date: | 2021-02-23 | | Last modified: | 2022-09-02 | | Release date: | 2022-09-07 | | Identifier: | (2~{S})-~{N}-(4-methoxyphenyl)-4-methyl-2-sulfanyl-pentanamide |
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 | | UHK | | Name: | (S)-2-mercapto-4-methyl-N-(p-tolyl)pentanamide | | Formula: | C13 H19 N O S | | SMILES: | CC(C)C[CH](S)C(=O)Nc1ccc(C)cc1 | | InChi: | InChI=1S/C13H19NOS/c1-9(2)8-12(16)13(15)14-11-6-4-10(3)5-7-11/h4-7,9,12,16H,8H2,1-3H3,(H,14,15)/t12-/m0/s1 | | Synonyms: | (2~{S})-4-methyl-~{N}-(4-methylphenyl)-2-sulfanyl-pentanamide | | Definition date: | 2021-02-23 | | Last modified: | 2022-09-02 | | Release date: | 2022-09-07 | | Identifier: | (2~{S})-4-methyl-~{N}-(4-methylphenyl)-2-sulfanyl-pentanamide |
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 | | U5I | | Name: | (5M)-3-[({2-[2-(2-{2-[2-({[(5M)-3-carboxy-5-(5,8-dihydroquinolin-4-yl)phenyl]amino}methyl)phenoxy]ethoxy}ethoxy)ethoxy]phenyl}methyl)amino]-5-(quinolin-4-yl)benzoic acid | | Formula: | C52 H48 N4 O8 | | SMILES: | O=C(O)c1cc(cc(c1)NCc1ccccc1OCCOCCOCCOc1ccccc1CNc1cc(cc(c1)c1ccnc2CC=CCc12)C(=O)O)c1ccnc2ccccc21 | | InChi: | InChI=1S/C52H48N4O8/c57-51(58)39-27-37(43-17-19-53-47-13-5-3-11-45(43)47)29-41(31-39)55-33-35-9-1-7-15-49(35)63-25-23-61-21-22-62-24-26-64-50-16-8-2-10-36(50)34-56-42-30-38(28-40(32-42)52(59)60)44-18-20-54-48-14-6-4-12-46(44)48/h1-11,13,15-20,27-32,55-56H,12,14,21-26,33-34H2,(H,57,58)(H,59,60) | | Definition date: | 2022-08-05 | | Last modified: | 2022-09-02 | | Release date: | 2022-09-07 | | Identifier: | (5M)-3-[({2-[2-(2-{2-[2-({[(5M)-3-carboxy-5-(5,8-dihydroquinolin-4-yl)phenyl]amino}methyl)phenoxy]ethoxy}ethoxy)ethoxy]phenyl}methyl)amino]-5-(quinolin-4-yl)benzoic acid |
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 | | U5X | | Name: | (5P)-N-benzyl-6-chloro-5-(quinolin-5-yl)pyridin-3-amine | | Formula: | C21 H16 Cl N3 | | SMILES: | Clc1ncc(cc1c1cccc2ncccc12)NCc1ccccc1 | | InChi: | InChI=1S/C21H16ClN3/c22-21-19(17-8-4-10-20-18(17)9-5-11-23-20)12-16(14-25-21)24-13-15-6-2-1-3-7-15/h1-12,14,24H,13H2 | | Definition date: | 2022-08-05 | | Last modified: | 2022-09-02 | | Release date: | 2022-09-07 | | Identifier: | (5P)-N-benzyl-6-chloro-5-(quinolin-5-yl)pyridin-3-amine |
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 | | M0U | | Name: | 1-[2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-5-[4-[(cyclohexylmethylamino)methyl]phenyl]-~{N}-ethyl-1,2,3-triazole-4-carboxamide | | Formula: | C28 H37 N5 O3 | | SMILES: | CCNC(=O)c1nnn(c2cc(C(C)C)c(O)cc2O)c1c3ccc(CNCC4CCCCC4)cc3 | | InChi: | InChI=1S/C28H37N5O3/c1-4-30-28(36)26-27(33(32-31-26)23-14-22(18(2)3)24(34)15-25(23)35)21-12-10-20(11-13-21)17-29-16-19-8-6-5-7-9-19/h10-15,18-19,29,34-35H,4-9,16-17H2,1-3H3,(H,30,36) | | Definition date: | 2022-07-20 | | Last modified: | 2022-09-02 | | Release date: | 2022-09-07 | | Identifier: | 1-[2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-5-[4-[(cyclohexylmethylamino)methyl]phenyl]-~{N}-ethyl-1,2,3-triazole-4-carboxamide |
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 | | U6C | | Name: | (5P)-5-[5-(benzylamino)pyridin-3-yl]-N-[2-(morpholin-4-yl)ethyl]-1H-indazol-3-amine | | Formula: | C25 H28 N6 O | | SMILES: | N(CCN1CCOCC1)c1n[NH]c2ccc(cc21)c1cc(NCc2ccccc2)cnc1 | | InChi: | InChI=1S/C25H28N6O/c1-2-4-19(5-3-1)16-28-22-14-21(17-26-18-22)20-6-7-24-23(15-20)25(30-29-24)27-8-9-31-10-12-32-13-11-31/h1-7,14-15,17-18,28H,8-13,16H2,(H2,27,29,30) | | Definition date: | 2022-08-05 | | Last modified: | 2022-09-02 | | Release date: | 2022-09-07 | | Identifier: | (5P)-5-[5-(benzylamino)pyridin-3-yl]-N-[2-(morpholin-4-yl)ethyl]-1H-indazol-3-amine |
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 | | OJC | | Name: | (2R,3R,3aS,5S,6R,7S,8R,11R,13S,15aR)-2-(6-amino-9H-purin-9-yl)-3,6,7,11,13-pentahydroxyoctahydro-2H,5H,11H,13H-5,8-epoxy-11lambda~5~,13lambda~5~-furo[2,3-g][1,3,5,9,2,4]tetraoxadiphosphacyclotetradecine-11,13-dione | | Formula: | C15 H21 N5 O13 P2 | | SMILES: | Nc1ncnc2c1ncn2C1OC2COP(=O)(O)OP(=O)(O)OCC3OC(OC2C1O)C(O)C3O | | InChi: | InChI=1S/C15H21N5O13P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)11-6(30-14)2-29-35(26,27)33-34(24,25)28-1-5-8(21)9(22)15(31-5)32-11/h3-6,8-11,14-15,21-23H,1-2H2,(H,24,25)(H,26,27)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15+/m1/s1 | | Definition date: | 2022-05-06 | | Last modified: | 2022-09-02 | | Release date: | 2022-09-07 | | Identifier: | (2R,3R,3aS,5S,6R,7S,8R,11R,13S,15aR)-2-(6-amino-9H-purin-9-yl)-3,6,7,11,13-pentahydroxyoctahydro-2H,5H,11H,13H-5,8-epoxy-11lambda~5~,13lambda~5~-furo[2,3-g][1,3,5,9,2,4]tetraoxadiphosphacyclotetradecine-11,13-dione |
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 | | UY0 | | Name: | N-{2-chloro-5-[(5-methyl-2-{4-[2-(pyrrolidin-1-yl)ethoxy]anilino}pyrimidin-4-yl)amino]phenyl}-2-methylpropane-2-sulfonamide | | Formula: | C27 H35 Cl N6 O3 S | | SMILES: | CC(C)(C)S(=O)(=O)Nc1cc(ccc1Cl)Nc1nc(ncc1C)Nc1ccc(OCCN2CCCC2)cc1 | | InChi: | InChI=1S/C27H35ClN6O3S/c1-19-18-29-26(31-20-7-10-22(11-8-20)37-16-15-34-13-5-6-14-34)32-25(19)30-21-9-12-23(28)24(17-21)33-38(35,36)27(2,3)4/h7-12,17-18,33H,5-6,13-16H2,1-4H3,(H2,29,30,31,32) | | Definition date: | 2022-08-29 | | Last modified: | 2022-09-02 | | Release date: | 2022-09-07 | | Identifier: | N-{2-chloro-5-[(5-methyl-2-{4-[2-(pyrrolidin-1-yl)ethoxy]anilino}pyrimidin-4-yl)amino]phenyl}-2-methylpropane-2-sulfonamide |
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 | | R1Y | | Name: | 1-beta-D-ribofuranosyl-1H-1,2,4-triazole-3-carboximidamide | | Formula: | C8 H13 N5 O4 | | SMILES: | N=C(N)c1ncn(n1)C1OC(CO)C(O)C1O | | InChi: | InChI=1S/C8H13N5O4/c9-6(10)7-11-2-13(12-7)8-5(16)4(15)3(1-14)17-8/h2-5,8,14-16H,1H2,(H3,9,10)/t3-,4-,5-,8-/m1/s1 | | Definition date: | 2022-06-15 | | Last modified: | 2022-09-02 | | Release date: | 2022-09-07 | | Identifier: | 1-beta-D-ribofuranosyl-1H-1,2,4-triazole-3-carboximidamide |
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 | | R2O | | Name: | N-(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine | | Formula: | C9 H10 F N3 | | SMILES: | Fc1ccc(NC2=NCCN2)cc1 | | InChi: | InChI=1S/C9H10FN3/c10-7-1-3-8(4-2-7)13-9-11-5-6-12-9/h1-4H,5-6H2,(H2,11,12,13) | | Definition date: | 2022-06-15 | | Last modified: | 2022-09-02 | | Release date: | 2022-09-07 | | Identifier: | N-(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine |
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 | | TJC | | Name: | {5-[(5-{[(4-tert-butylphenyl)methyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}acetic acid | | Formula: | C31 H33 Cl N2 O4 | | SMILES: | CC(C)(C)c1ccc(cc1)CNC(=O)c1cc2c(cc1)n(Cc1ccc(Cl)c(OCC(=O)O)c1)c(C)c2C | | InChi: | InChI=1S/C31H33ClN2O4/c1-19-20(2)34(17-22-8-12-26(32)28(14-22)38-18-29(35)36)27-13-9-23(15-25(19)27)30(37)33-16-21-6-10-24(11-7-21)31(3,4)5/h6-15H,16-18H2,1-5H3,(H,33,37)(H,35,36) | | Definition date: | 2022-07-25 | | Last modified: | 2022-09-02 | | Release date: | 2022-09-07 | | Identifier: | {5-[(5-{[(4-tert-butylphenyl)methyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}acetic acid |
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 | | TJO | | Name: | (2R)-2-{5-[(5-{[(1R)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid | | Formula: | C33 H37 Cl N2 O4 | | SMILES: | CC(C)(C)c1ccc(cc1)C(C)NC(=O)c1cc2c(cc1)n(Cc1ccc(Cl)c(OC(C)C(=O)O)c1)c(C)c2C | | InChi: | InChI=1S/C33H37ClN2O4/c1-19-21(3)36(18-23-8-14-28(34)30(16-23)40-22(4)32(38)39)29-15-11-25(17-27(19)29)31(37)35-20(2)24-9-12-26(13-10-24)33(5,6)7/h8-17,20,22H,18H2,1-7H3,(H,35,37)(H,38,39)/t20-,22-/m1/s1 | | Definition date: | 2022-07-25 | | Last modified: | 2022-09-02 | | Release date: | 2022-09-07 | | Identifier: | (2R)-2-{5-[(5-{[(1R)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid |
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 | | 1XK | | Name: | 4-[(3S)-3-cyclopropyl-3-(hydroxymethyl)-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide | | Formula: | C26 H28 F N5 O3 | | SMILES: | Cn1cc(cn1)c2cc(F)cc(CNC(=O)c3cc(cc(C)n3)N4CC[C](CO)(C5CC5)C4=O)c2 | | InChi: | InChI=1S/C26H28FN5O3/c1-16-7-22(32-6-5-26(15-33,25(32)35)20-3-4-20)11-23(30-16)24(34)28-12-17-8-18(10-21(27)9-17)19-13-29-31(2)14-19/h7-11,13-14,20,33H,3-6,12,15H2,1-2H3,(H,28,34)/t26-/m1/s1 | | Definition date: | 2021-07-08 | | Last modified: | 2022-09-02 | | Release date: | 2022-09-07 | | Identifier: | 4-[(3~{S})-3-cyclopropyl-3-(hydroxymethyl)-2-oxidanylidene-pyrrolidin-1-yl]-~{N}-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide |
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 | | 8Z3 | | Name: | (2S)-2-[10-fluoranyl-1,4-dimethyl-2-(4-methyl-2-oxidanyl-phenyl)-5-methylsulfonyl-6H-phenanthridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid | | Formula: | C29 H32 F N O6 S | | SMILES: | Cc1ccc(c(O)c1)c2c(C)c3c(N(Cc4cccc(F)c34)[S](C)(=O)=O)c(C)c2[CH](OC(C)(C)C)C(O)=O | | InChi: | InChI=1S/C29H32FNO6S/c1-15-11-12-19(21(32)13-15)22-16(2)23-25-18(9-8-10-20(25)30)14-31(38(7,35)36)26(23)17(3)24(22)27(28(33)34)37-29(4,5)6/h8-13,27,32H,14H2,1-7H3,(H,33,34)/t27-/m0/s1 | | Definition date: | 2021-12-28 | | Last modified: | 2022-09-02 | | Release date: | 2022-09-07 | | Identifier: | (2~{S})-2-[10-fluoranyl-1,4-dimethyl-2-(4-methyl-2-oxidanyl-phenyl)-5-methylsulfonyl-6~{H}-phenanthridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid |
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 | | 7UE | | Name: | 5-pyrrol-1-ylpyridine-3-carboxylic acid | | Formula: | C10 H8 N2 O2 | | SMILES: | OC(=O)c1cncc(c1)n2cccc2 | | InChi: | InChI=1S/C10H8N2O2/c13-10(14)8-5-9(7-11-6-8)12-3-1-2-4-12/h1-7H,(H,13,14) | | Definition date: | 2021-09-01 | | Last modified: | 2022-09-02 | | Release date: | 2022-09-07 | | Identifier: | 5-pyrrol-1-ylpyridine-3-carboxylic acid |
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 | | 7S2 | | Name: | (2R,4R)-N-[[4-(4-cyclopropylbuta-1,3-diynyl)phenyl]methyl]-1-(2-methylpropanoyl)-4-[[(2S,4R)-4-oxidanylpyrrolidin-2-yl]carbonylamino]pyrrolidine-2-carboxamide | | Formula: | C28 H34 N4 O4 | | SMILES: | CC(C)C(=O)N1C[CH](C[CH]1C(=O)NCc2ccc(cc2)C#CC#CC3CC3)NC(=O)[CH]4C[CH](O)CN4 | | InChi: | InChI=1S/C28H34N4O4/c1-18(2)28(36)32-17-22(31-26(34)24-14-23(33)16-29-24)13-25(32)27(35)30-15-21-11-9-20(10-12-21)6-4-3-5-19-7-8-19/h9-12,18-19,22-25,29,33H,7-8,13-17H2,1-2H3,(H,30,35)(H,31,34)/t22-,23-,24+,25-/m1/s1 | | Definition date: | 2021-08-24 | | Last modified: | 2022-09-02 | | Release date: | 2022-09-07 | | Identifier: | (2~{R},4~{R})-~{N}-[[4-(4-cyclopropylbuta-1,3-diynyl)phenyl]methyl]-1-(2-methylpropanoyl)-4-[[(2~{S},4~{R})-4-oxidanylpyrrolidin-2-yl]carbonylamino]pyrrolidine-2-carboxamide |
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 | | 7S6 | | Name: | (2R,4R)-4-[[(2S,4S)-4-fluoranylpyrrolidin-2-yl]carbonylamino]-1-(2-methylpropanoyl)-N-[[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]methyl]pyrrolidine-2-carboxamide | | Formula: | C34 H42 F N5 O4 | | SMILES: | CC(C)C(=O)N1C[CH](C[CH]1C(=O)NCc2ccc(cc2)C#Cc3ccc(CN4CCOCC4)cc3)NC(=O)[CH]5C[CH](F)CN5 | | InChi: | InChI=1S/C34H42FN5O4/c1-23(2)34(43)40-22-29(38-32(41)30-17-28(35)20-36-30)18-31(40)33(42)37-19-26-9-5-24(6-10-26)3-4-25-7-11-27(12-8-25)21-39-13-15-44-16-14-39/h5-12,23,28-31,36H,13-22H2,1-2H3,(H,37,42)(H,38,41)/t28-,29+,30-,31+/m0/s1 | | Definition date: | 2021-08-24 | | Last modified: | 2022-09-02 | | Release date: | 2022-09-07 | | Identifier: | (2~{R},4~{R})-4-[[(2~{S},4~{S})-4-fluoranylpyrrolidin-2-yl]carbonylamino]-1-(2-methylpropanoyl)-~{N}-[[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]methyl]pyrrolidine-2-carboxamide |
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 | | 7SQ | | Name: | 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-1,2,3-triazole | | Formula: | C9 H5 Cl F3 N3 | | SMILES: | FC(F)(F)c1cc(ccc1Cl)n2ccnn2 | | InChi: | InChI=1S/C9H5ClF3N3/c10-8-2-1-6(16-4-3-14-15-16)5-7(8)9(11,12)13/h1-5H | | Definition date: | 2021-08-24 | | Last modified: | 2022-09-02 | | Release date: | 2022-09-07 | | Identifier: | 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-1,2,3-triazole |
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 | | 7T0 | | Name: | 1-[2,4-bis(chloranyl)-3-(trifluoromethyl)phenyl]-1,2,3-triazole | | Formula: | C9 H4 Cl2 F3 N3 | | SMILES: | FC(F)(F)c1c(Cl)ccc(n2ccnn2)c1Cl | | InChi: | InChI=1S/C9H4Cl2F3N3/c10-5-1-2-6(17-4-3-15-16-17)8(11)7(5)9(12,13)14/h1-4H | | Synonyms: | 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole | | Definition date: | 2021-08-25 | | Last modified: | 2022-09-02 | | Release date: | 2022-09-07 | | Identifier: | 1-[2,4-bis(chloranyl)-3-(trifluoromethyl)phenyl]-1,2,3-triazole |
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 | | 7T5 | | Name: | (2S,4S)-4-fluoranyl-N-[(3R,5R)-5-[[[4-[2-(4-methylphenyl)ethynyl]phenyl]carbonylamino]methyl]-1-(2-methylpropanoyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide | | Formula: | C30 H35 F N4 O3 | | SMILES: | CC(C)C(=O)N1C[CH](C[CH]1CNC(=O)c2ccc(cc2)C#Cc3ccc(C)cc3)NC(=O)[CH]4C[CH](F)CN4 | | InChi: | InChI=1S/C30H35FN4O3/c1-19(2)30(38)35-18-25(34-29(37)27-14-24(31)16-32-27)15-26(35)17-33-28(36)23-12-10-22(11-13-23)9-8-21-6-4-20(3)5-7-21/h4-7,10-13,19,24-27,32H,14-18H2,1-3H3,(H,33,36)(H,34,37)/t24-,25+,26+,27-/m0/s1 | | Definition date: | 2021-08-25 | | Last modified: | 2022-09-02 | | Release date: | 2022-09-07 | | Identifier: | (2~{S},4~{S})-4-fluoranyl-~{N}-[(3~{R},5~{R})-5-[[[4-[2-(4-methylphenyl)ethynyl]phenyl]carbonylamino]methyl]-1-(2-methylpropanoyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide |
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 | | 7TF | | Name: | (2R,4R)-1-cyclopropylcarbonyl-4-[[(2S,4S)-4-fluoranylpyrrolidin-2-yl]carbonylamino]-N-[[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]methyl]pyrrolidine-2-carboxamide | | Formula: | C34 H40 F N5 O4 | | SMILES: | F[CH]1CN[CH](C1)C(=O)N[CH]2C[CH](N(C2)C(=O)C3CC3)C(=O)NCc4ccc(cc4)C#Cc5ccc(CN6CCOCC6)cc5 | | InChi: | InChI=1S/C34H40FN5O4/c35-28-17-30(36-20-28)32(41)38-29-18-31(40(22-29)34(43)27-11-12-27)33(42)37-19-25-7-3-23(4-8-25)1-2-24-5-9-26(10-6-24)21-39-13-15-44-16-14-39/h3-10,27-31,36H,11-22H2,(H,37,42)(H,38,41)/t28-,29+,30-,31+/m0/s1 | | Definition date: | 2021-08-25 | | Last modified: | 2022-09-02 | | Release date: | 2022-09-07 | | Identifier: | (2~{R},4~{R})-1-cyclopropylcarbonyl-4-[[(2~{S},4~{S})-4-fluoranylpyrrolidin-2-yl]carbonylamino]-~{N}-[[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]methyl]pyrrolidine-2-carboxamide |
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 | | 7TI | | Name: | 4-azanyl-6-[1,2,2-tris(chloranyl)ethenyl]benzene-1,3-disulfonamide | | Formula: | C8 H8 Cl3 N3 O4 S2 | | SMILES: | Nc1cc(C(Cl)=C(Cl)Cl)c(cc1[S](N)(=O)=O)[S](N)(=O)=O | | InChi: | InChI=1S/C8H8Cl3N3O4S2/c9-7(8(10)11)3-1-4(12)6(20(14,17)18)2-5(3)19(13,15)16/h1-2H,12H2,(H2,13,15,16)(H2,14,17,18) | | Synonyms: | clorsulon | | Definition date: | 2021-08-31 | | Last modified: | 2022-09-02 | | Release date: | 2022-09-07 | | Identifier: | 4-azanyl-6-[1,2,2-tris(chloranyl)ethenyl]benzene-1,3-disulfonamide |
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 | | 63Z | | Name: | [1-[4-chloranyl-3-(trifluoromethyl)phenyl]-1,2,3-triazol-4-yl]methanol | | Formula: | C10 H7 Cl F3 N3 O | | SMILES: | OCc1cn(nn1)c2ccc(Cl)c(c2)C(F)(F)F | | InChi: | InChI=1S/C10H7ClF3N3O/c11-9-2-1-7(3-8(9)10(12,13)14)17-4-6(5-18)15-16-17/h1-4,18H,5H2 | | Synonyms: | (1-(4-Chloro-3-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-4-yl)methanol | | Definition date: | 2021-07-23 | | Last modified: | 2022-09-02 | | Release date: | 2022-09-07 | | Identifier: | [1-[4-chloranyl-3-(trifluoromethyl)phenyl]-1,2,3-triazol-4-yl]methanol |
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