 | | J33 | | Name: | 6,7-bis(chloranyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one | | Formula: | C10 H7 Cl2 N3 O | | SMILES: | Clc1ccc2N=C3NC(=O)CN3Cc2c1Cl | | InChi: | InChI=1S/C10H7Cl2N3O/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7/h1-2H,3-4H2,(H,13,14,16) | | Definition date: | 2021-03-26 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | 6,7-bis(chloranyl)-3,5-dihydro-1~{H}-imidazo[2,1-b]quinazolin-2-one |
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 | | J36 | | Name: | Parvine | | Formula: | C18 H13 N3 O | | SMILES: | O=C1N2CCc3c([nH]c4ccccc34)C2=Cc5ccncc15 | | InChi: | InChI=1S/C18H13N3O/c22-18-14-10-19-7-5-11(14)9-16-17-13(6-8-21(16)18)12-3-1-2-4-15(12)20-17/h1-5,7,9-10,20H,6,8H2 | | Definition date: | 2021-03-26 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 |
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 | | J89 | | Name: | (2~{S})-2-azanyl-4-(4-octylphenyl)-2-[[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxymethyl]butan-1-ol | | Formula: | C19 H34 N O5 P | | SMILES: | CCCCCCCCc1ccc(CC[C](N)(CO)CO[P](O)(O)=O)cc1 | | InChi: | InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1 | | Definition date: | 2021-04-23 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | [(2~{S})-2-azanyl-2-(hydroxymethyl)-4-(4-octylphenyl)butyl] dihydrogen phosphate |
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 | | J8C | | Name: | 1-[[4-[(~{E})-~{N}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{C}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid | | Formula: | C29 H35 F3 N2 O3 | | SMILES: | CCc1cc(ccc1CN2CC(C2)C(O)=O)C(C)=NOCc3ccc(C4CCCCC4)c(c3)C(F)(F)F | | InChi: | InChI=1S/C29H35F3N2O3/c1-3-21-14-23(10-11-24(21)15-34-16-25(17-34)28(35)36)19(2)33-37-18-20-9-12-26(22-7-5-4-6-8-22)27(13-20)29(30,31)32/h9-14,22,25H,3-8,15-18H2,1-2H3,(H,35,36)/b33-19+ | | Definition date: | 2021-04-23 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | 1-[[4-[(~{E})-~{N}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{C}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid |
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 | | 8IE | | Name: | (4R)-3-methyl-5-[(4R)-4-methyl-3,4-dihydroisoquinolin-2(1H)-yl]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine | | Formula: | C18 H17 N5 S | | SMILES: | CC1CN(Cc2ccccc21)c1nc2ccsc2c2nnc(C)n21 | | InChi: | InChI=1S/C18H17N5S/c1-11-9-22(10-13-5-3-4-6-14(11)13)18-19-15-7-8-24-16(15)17-21-20-12(2)23(17)18/h3-8,11H,9-10H2,1-2H3/t11-/m0/s1 | | Definition date: | 2021-09-20 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | (4R)-3-methyl-5-[(4R)-4-methyl-3,4-dihydroisoquinolin-2(1H)-yl]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine |
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 | | 0IZ | | Name: | 3-[(2~{S},3~{R},4~{R})-4-[[(2~{S})-2-azanyl-3-methyl-butanoyl]amino]-2-carboxy-pyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boron | | Formula: | C13 H27 B N3 O6 | | SMILES: | O=C(NC1CNC(C1CCC[B-](O)(O)O)C(=O)O)C(N)C(C)C | | InChi: | InChI=1S/C13H27BN3O6/c1-7(2)10(15)12(18)17-9-6-16-11(13(19)20)8(9)4-3-5-14(21,22)23/h7-11,16,21-23H,3-6,15H2,1-2H3,(H,17,18)(H,19,20)/q-1/t8-,9+,10+,11+/m1/s1 | | Definition date: | 2021-06-10 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | {3-[(2S,3R,4R)-2-carboxy-4-(L-valylamino)pyrrolidin-3-yl]propyl}(trihydroxido)borate(1-) |
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 | | 7QB | | Name: | (2S,4R)-4-hydroxy-1-((S)-2-(2-(4-(3-methoxy-4-((4-((2-(methylcarbamoyl)phenyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)phenyl)piperazin-1-yl)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide | | Formula: | C50 H59 F3 N10 O6 S | | SMILES: | CNC(=O)c1ccccc1Nc2cc(Nc3ccc(cc3OC)N4CCN(CC4)CC(=O)N[CH](C(=O)N5C[CH](O)C[CH]5C(=O)N[CH](C)c6ccc(cc6)c7scnc7C)C(C)(C)C)ncc2C(F)(F)F | | InChi: | InChI=1S/C50H59F3N10O6S/c1-29(31-12-14-32(15-13-31)44-30(2)56-28-70-44)57-47(67)40-23-34(64)26-63(40)48(68)45(49(3,4)5)60-43(65)27-61-18-20-62(21-19-61)33-16-17-38(41(22-33)69-7)59-42-24-39(36(25-55-42)50(51,52)53)58-37-11-9-8-10-35(37)46(66)54-6/h8-17,22,24-25,28-29,34,40,45,64H,18-21,23,26-27H2,1-7H3,(H,54,66)(H,57,67)(H,60,65)(H2,55,58,59)/t29-,34+,40-,45+/m0/s1 | | Synonyms: | (2S,4R)-1-[(2S)-2-[2-[4-[3-methoxy-4-[[4-[[2-(methylcarbamoyl)phenyl]amino]-5-(trifluoromethyl)pyridin-2-yl]amino]phenyl]piperazin-1-yl]ethanoylamino]-3,3-dimethyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide | | Definition date: | 2021-08-19 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | (2~{S},4~{R})-1-[(2~{S})-2-[2-[4-[3-methoxy-4-[[4-[[2-(methylcarbamoyl)phenyl]amino]-5-(trifluoromethyl)pyridin-2-yl]amino]phenyl]piperazin-1-yl]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
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 | | 7VT | | Name: | 5-[3,6-dihydro-2H-pyran-4-yl]-2-methoxy-N-[2-methylpyridin-4-yl]pyridine-3-sulfonamide | | Formula: | C17 H19 N3 O4 S | | SMILES: | COc1ncc(cc1[S](=O)(=O)Nc2ccnc(C)c2)C3=CCOCC3 | | InChi: | InChI=1S/C17H19N3O4S/c1-12-9-15(3-6-18-12)20-25(21,22)16-10-14(11-19-17(16)23-2)13-4-7-24-8-5-13/h3-4,6,9-11H,5,7-8H2,1-2H3,(H,18,20) | | Synonyms: | 5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-~{N}-(2-methylpyridin-4-yl)pyridine-3-sulfonamide | | Definition date: | 2021-09-09 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | 5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-~{N}-(2-methylpyridin-4-yl)pyridine-3-sulfonamide |
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 | | 7XH | | Name: | ~{N}-[2-[2-fluoranyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyridin-4-yl]-2-methoxy-5-morpholin-4-yl-pyridine-3-sulfonamide | | Formula: | C29 H37 F N6 O4 S | | SMILES: | COc1ncc(cc1[S](=O)(=O)Nc2ccnc(c2)c3ccc(CN4CCN(CC4)C(C)C)cc3F)N5CCOCC5 | | InChi: | InChI=1S/C29H37FN6O4S/c1-21(2)35-10-8-34(9-11-35)20-22-4-5-25(26(30)16-22)27-17-23(6-7-31-27)33-41(37,38)28-18-24(19-32-29(28)39-3)36-12-14-40-15-13-36/h4-7,16-19,21H,8-15,20H2,1-3H3,(H,31,33) | | Definition date: | 2021-09-09 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | ~{N}-[2-[2-fluoranyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyridin-4-yl]-2-methoxy-5-morpholin-4-yl-pyridine-3-sulfonamide |
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 | | 7XN | | Name: | 5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-~{N}-[5-[3-(4-propan-2-ylpiperazin-1-yl)prop-1-ynyl]pyridin-3-yl]pyridine-3-sulfonamide | | Formula: | C26 H33 N5 O4 S | | SMILES: | COc1ncc(cc1[S](=O)(=O)Nc2cncc(c2)C#CCN3CCN(CC3)C(C)C)C4=CCOCC4 | | InChi: | InChI=1S/C26H33N5O4S/c1-20(2)31-11-9-30(10-12-31)8-4-5-21-15-24(19-27-17-21)29-36(32,33)25-16-23(18-28-26(25)34-3)22-6-13-35-14-7-22/h6,15-20,29H,7-14H2,1-3H3 | | Definition date: | 2021-09-09 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | 5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-~{N}-[5-[3-(4-propan-2-ylpiperazin-1-yl)prop-1-ynyl]pyridin-3-yl]pyridine-3-sulfonamide |
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 | | SLW | | Name: | 4-chloranyl-N-[(1R)-1-[(1S,5R)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide | | Formula: | C25 H25 Cl N2 O2 | | SMILES: | CC[CH](NC(=O)c1ccc(Cl)cc1)[CH]2[CH]3C[CH](C[CH]23)Oc4ccnc5ccccc45 | | InChi: | InChI=1S/C25H25ClN2O2/c1-2-21(28-25(29)15-7-9-16(26)10-8-15)24-19-13-17(14-20(19)24)30-23-11-12-27-22-6-4-3-5-18(22)23/h3-12,17,19-21,24H,2,13-14H2,1H3,(H,28,29)/t17-,19-,20+,21-,24+/m1/s1 | | Synonyms: | 4-chloranyl-~{N}-[(1~{R})-1-[(1~{S},5~{R})-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide | | Definition date: | 2020-11-25 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | 4-chloranyl-~{N}-[(1~{R})-1-[(1~{S},5~{R})-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide |
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 | | U4N | | Name: | 2,2,2-tris(fluoranyl)-~{N}-[4-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxynaphthalen-1-yl]ethanesulfonamide | | Formula: | C26 H25 F3 N6 O3 S | | SMILES: | FC(F)(F)C[S](=O)(=O)Nc1ccc(Oc2ncccc2c3ccnc(N[CH]4CCCNC4)n3)c5ccccc15 | | InChi: | InChI=1S/C26H25F3N6O3S/c27-26(28,29)16-39(36,37)35-22-9-10-23(19-7-2-1-6-18(19)22)38-24-20(8-4-13-31-24)21-11-14-32-25(34-21)33-17-5-3-12-30-15-17/h1-2,4,6-11,13-14,17,30,35H,3,5,12,15-16H2,(H,32,33,34)/t17-/m0/s1 | | Definition date: | 2021-01-21 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | 2,2,2-tris(fluoranyl)-~{N}-[4-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxynaphthalen-1-yl]ethanesulfonamide |
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 | | 55Z | | Name: | 5-azanyl-N-tert-butyl-2-methylsulfanyl-4-[3-(2-morpholin-4-ylethanoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide | | Formula: | C24 H30 N6 O3 S2 | | SMILES: | CSc1nc2sc(C(=O)NC(C)(C)C)c(N)c2c(n1)c3cccc(NC(=O)CN4CCOCC4)c3 | | InChi: | InChI=1S/C24H30N6O3S2/c1-24(2,3)29-21(32)20-18(25)17-19(27-23(34-4)28-22(17)35-20)14-6-5-7-15(12-14)26-16(31)13-30-8-10-33-11-9-30/h5-7,12H,8-11,13,25H2,1-4H3,(H,26,31)(H,29,32) | | Definition date: | 2021-08-19 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | 5-azanyl-~{N}-~{tert}-butyl-2-methylsulfanyl-4-[3-(2-morpholin-4-ylethanoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide |
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 | | UJD | | Name: | 1,3-dithiolane-2-carboxylic acid | | Formula: | C4 H6 O2 S2 | | SMILES: | C(C1SCCS1)(O)=O | | InChi: | InChI=1S/C4H6O2S2/c5-3(6)4-7-1-2-8-4/h4H,1-2H2,(H,5,6) | | Definition date: | 2020-05-18 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | 1,3-dithiolane-2-carboxylic acid |
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 | | UJG | | Name: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-{7,8-dimethyl-2,4-dioxo-5-[(2R)-tetrahydrothiophen-2-yl]-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) | | Formula: | C31 H41 N9 O15 P2 S | | SMILES: | P(=O)(O)(OCC1OC(C(C1O)O)n2cnc3c(N)ncnc23)OP(OCC(C(C(CN5c7c(N(C=4C(NC(NC=45)=O)=O)C6CCCS6)cc(C)c(C)c7)O)O)O)(=O)O | | InChi: | InChI=1S/C31H41N9O15P2S/c1-13-6-15-16(7-14(13)2)40(20-4-3-5-58-20)22-28(36-31(47)37-29(22)46)38(15)8-17(41)23(43)18(42)9-52-56(48,49)55-57(50,51)53-10-19-24(44)25(45)30(54-19)39-12-35-21-26(32)33-11-34-27(21)39/h6-7,11-12,17-20,23-25,30,41-45H,3-5,8-10H2,1-2H3,(H,48,49)(H,50,51)(H2,32,33,34)(H2,36,37,46,47)/t17-,18+,19+,20+,23-,24+,25+,30+/m0/s1 | | Definition date: | 2020-05-18 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-{7,8-dimethyl-2,4-dioxo-5-[(2R)-tetrahydrothiophen-2-yl]-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) |
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 | | UJJ | | Name: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[5-(1,3-dithiolan-2-yl)-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate | | Formula: | C30 H39 N9 O15 P2 S2 | | SMILES: | C1(C2=C(NC(=O)N1)N(c4cc(c(cc4N2C3SCCS3)C)C)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC5OC(C(C5O)O)n6cnc7c(N)ncnc67)=O | | InChi: | InChI=1S/C30H39N9O15P2S2/c1-12-5-14-15(6-13(12)2)39(30-57-3-4-58-30)20-26(35-29(46)36-27(20)45)37(14)7-16(40)21(42)17(41)8-51-55(47,48)54-56(49,50)52-9-18-22(43)23(44)28(53-18)38-11-34-19-24(31)32-10-33-25(19)38/h5-6,10-11,16-18,21-23,28,30,40-44H,3-4,7-9H2,1-2H3,(H,47,48)(H,49,50)(H2,31,32,33)(H2,35,36,45,46)/t16-,17+,18+,21-,22+,23+,28+/m0/s1 | | Definition date: | 2020-05-18 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[5-(1,3-dithiolan-2-yl)-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) |
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 | | UJM | | Name: | (2S)-thiolane-2-carboxylic acid | | Formula: | C5 H8 O2 S | | SMILES: | C(O)(C1SCCC1)=O | | InChi: | InChI=1S/C5H8O2S/c6-5(7)4-2-1-3-8-4/h4H,1-3H2,(H,6,7)/t4-/m0/s1 | | Definition date: | 2020-05-18 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | (2S)-thiolane-2-carboxylic acid |
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 | | UJP | | Name: | (2R)-thiolane-2-carboxylic acid | | Formula: | C5 H8 O2 S | | SMILES: | C(O)(C1CCCS1)=O | | InChi: | InChI=1S/C5H8O2S/c6-5(7)4-2-1-3-8-4/h4H,1-3H2,(H,6,7)/t4-/m1/s1 | | Definition date: | 2020-05-18 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | (2R)-thiolane-2-carboxylic acid |
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 | | JER | | Name: | (2~{S})-3-[4-[5-(2-cyclopentyl-6-methoxy-pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methyl-phenoxy]propane-1,2-diol | | Formula: | C25 H31 N3 O5 | | SMILES: | CCc1cc(cc(C)c1OC[CH](O)CO)c2noc(n2)c3cc(OC)nc(c3)C4CCCC4 | | InChi: | InChI=1S/C25H31N3O5/c1-4-16-10-18(9-15(2)23(16)32-14-20(30)13-29)24-27-25(33-28-24)19-11-21(17-7-5-6-8-17)26-22(12-19)31-3/h9-12,17,20,29-30H,4-8,13-14H2,1-3H3/t20-/m0/s1 | | Definition date: | 2021-05-27 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | (2~{S})-3-[4-[5-(2-cyclopentyl-6-methoxy-pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methyl-phenoxy]propane-1,2-diol |
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 | | JEU | | Name: | 5-[3-[(1~{S})-1-(2-hydroxyethylamino)-2,3-dihydro-1~{H}-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxy-benzenecarbonitrile | | Formula: | C23 H24 N4 O3 | | SMILES: | CC(C)Oc1ccc(cc1C#N)c2onc(n2)c3cccc4[CH](CCc34)NCCO | | InChi: | InChI=1S/C23H24N4O3/c1-14(2)29-21-9-6-15(12-16(21)13-24)23-26-22(27-30-23)19-5-3-4-18-17(19)7-8-20(18)25-10-11-28/h3-6,9,12,14,20,25,28H,7-8,10-11H2,1-2H3/t20-/m0/s1 | | Definition date: | 2021-05-27 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | 5-[3-[(1~{S})-1-(2-hydroxyethylamino)-2,3-dihydro-1~{H}-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxy-benzenecarbonitrile |
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 | | JEX | | Name: | 5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole | | Formula: | C20 H10 F6 N2 O S | | SMILES: | FC(F)(F)c1cccc(c1)c2noc(n2)c3sc(c(c3)c4ccccc4)C(F)(F)F | | InChi: | InChI=1S/C20H10F6N2OS/c21-19(22,23)13-8-4-7-12(9-13)17-27-18(29-28-17)15-10-14(11-5-2-1-3-6-11)16(30-15)20(24,25)26/h1-10H | | Definition date: | 2021-05-27 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | 5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole |
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 | | JF9 | | Name: | N,N-dicyclohexyl-5-cyclopropyl-1,2-oxazole-3-carboxamide | | Formula: | C19 H28 N2 O2 | | SMILES: | O=C(N(C1CCCCC1)C2CCCCC2)c3cc(on3)C4CC4 | | InChi: | InChI=1S/C19H28N2O2/c22-19(17-13-18(23-20-17)14-11-12-14)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h13-16H,1-12H2 | | Definition date: | 2021-05-28 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | ~{N},~{N}-dicyclohexyl-5-cyclopropyl-1,2-oxazole-3-carboxamide |
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 | | S6Q | | Name: | ~{N}-(phenylmethyl)-2-[1-(phenylsulfonyl)indol-4-yl]oxy-ethanamine | | Formula: | C23 H22 N2 O3 S | | SMILES: | O=[S](=O)(n1ccc2c(OCCNCc3ccccc3)cccc12)c4ccccc4 | | InChi: | InChI=1S/C23H22N2O3S/c26-29(27,20-10-5-2-6-11-20)25-16-14-21-22(25)12-7-13-23(21)28-17-15-24-18-19-8-3-1-4-9-19/h1-14,16,24H,15,17-18H2 | | Definition date: | 2020-11-10 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | ~{N}-(phenylmethyl)-2-[1-(phenylsulfonyl)indol-4-yl]oxy-ethanamine |
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 | | S78 | | Name: | 2-((1-benzyl-1H-indol-4-yl)oxy)-N-((1-(tert-butoxycarbonyl)piperidin-3-yl)methyl)ethan-1-aminium | | Formula: | C28 H38 N3 O3 | | SMILES: | CC(C)(C)OC(=O)N1CCC[CH](C[NH2+]CCOc2cccc3n(Cc4ccccc4)ccc23)C1 | | InChi: | InChI=1S/C28H37N3O3/c1-28(2,3)34-27(32)31-16-8-11-23(21-31)19-29-15-18-33-26-13-7-12-25-24(26)14-17-30(25)20-22-9-5-4-6-10-22/h4-7,9-10,12-14,17,23,29H,8,11,15-16,18-21H2,1-3H3/p+1/t23-/m1/s1 | | Synonyms: | [(3~{R})-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl-[2-[1-(phenylmethyl)indol-4-yl]oxyethyl]azanium | | Definition date: | 2020-11-10 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | [(3~{R})-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl-[2-[1-(phenylmethyl)indol-4-yl]oxyethyl]azanium |
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 | | S8K | | Name: | ~{tert}-butyl (3~{S})-3-[[2-[1-(phenylsulfonyl)indol-4-yl]oxyethylamino]methyl]piperidine-1-carboxylate | | Formula: | C27 H35 N3 O5 S | | SMILES: | CC(C)(C)OC(=O)N1CCC[CH](CNCCOc2cccc3n(ccc23)[S](=O)(=O)c4ccccc4)C1 | | InChi: | InChI=1S/C27H35N3O5S/c1-27(2,3)35-26(31)29-16-8-9-21(20-29)19-28-15-18-34-25-13-7-12-24-23(25)14-17-30(24)36(32,33)22-10-5-4-6-11-22/h4-7,10-14,17,21,28H,8-9,15-16,18-20H2,1-3H3/t21-/m0/s1 | | Definition date: | 2020-11-11 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | ~{tert}-butyl (3~{S})-3-[[2-[1-(phenylsulfonyl)indol-4-yl]oxyethylamino]methyl]piperidine-1-carboxylate |
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