 | | HMJ | | Name: | 2-[(dibenzo[b,d]furan-2-yl)oxy]-N,N-dimethylethan-1-amine | | Formula: | C16 H17 N O2 | | SMILES: | c1c(OCCN(C)C)ccc3c1c2c(cccc2)o3 | | InChi: | InChI=1S/C16H17NO2/c1-17(2)9-10-18-12-7-8-16-14(11-12)13-5-3-4-6-15(13)19-16/h3-8,11H,9-10H2,1-2H3 | | Definition date: | 2018-07-12 | | Last modified: | 2019-04-05 | | Release date: | 2019-04-10 | | Identifier: | 2-[(dibenzo[b,d]furan-2-yl)oxy]-N,N-dimethylethan-1-amine |
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 | | HMV | | Name: | 2-[(9H-carbazol-3-yl)oxy]-N,N-dimethylethan-1-amine | | Formula: | C16 H18 N2 O | | SMILES: | c1c(ccc3c1c2ccccc2n3)OCCN(C)C | | InChi: | InChI=1S/C16H18N2O/c1-18(2)9-10-19-12-7-8-16-14(11-12)13-5-3-4-6-15(13)17-16/h3-8,11,17H,9-10H2,1-2H3 | | Definition date: | 2018-07-12 | | Last modified: | 2019-04-05 | | Release date: | 2019-04-10 | | Identifier: | 2-[(9H-carbazol-3-yl)oxy]-N,N-dimethylethan-1-amine |
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 | | 9QO | | Name: | 5-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine | | Formula: | C21 H28 N8 O2 | | SMILES: | c1(nc(c(c(N)n1)c2cccc(c2)OCCCOc3c(CC)nc(nc3N)N)CC)N | | InChi: | InChI=1S/C21H28N8O2/c1-3-14-16(18(22)28-20(24)26-14)12-7-5-8-13(11-12)30-9-6-10-31-17-15(4-2)27-21(25)29-19(17)23/h5,7-8,11H,3-4,6,9-10H2,1-2H3,(H4,22,24,26,28)(H4,23,25,27,29) | | Definition date: | 2018-06-21 | | Last modified: | 2019-04-05 | | Release date: | 2019-04-10 | | Identifier: | 5-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine |
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 | | 9QR | | Name: | 5-(4-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine | | Formula: | C21 H28 N8 O2 | | SMILES: | n1c(c(c(nc1N)CC)OCCCOc3ccc(c2c(N)nc(nc2CC)N)cc3)N | | InChi: | InChI=1S/C21H28N8O2/c1-3-14-16(18(22)28-20(24)26-14)12-6-8-13(9-7-12)30-10-5-11-31-17-15(4-2)27-21(25)29-19(17)23/h6-9H,3-5,10-11H2,1-2H3,(H4,22,24,26,28)(H4,23,25,27,29) | | Definition date: | 2018-06-21 | | Last modified: | 2019-04-05 | | Release date: | 2019-04-10 | | Identifier: | 5-(4-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine |
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 | | 9S6 | | Name: | 3-[(~{E})-5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol | | Formula: | C30 H36 N2 O2 | | SMILES: | CC(C)N1CCN(CC1)c2ccc(cc2)C(c3cccc(O)c3)=C(CCCO)c4ccccc4 | | InChi: | InChI=1S/C30H36N2O2/c1-23(2)31-17-19-32(20-18-31)27-15-13-25(14-16-27)30(26-10-6-11-28(34)22-26)29(12-7-21-33)24-8-4-3-5-9-24/h3-6,8-11,13-16,22-23,33-34H,7,12,17-21H2,1-2H3/b30-29+ | | Definition date: | 2018-07-05 | | Last modified: | 2019-04-05 | | Release date: | 2019-04-10 | | Identifier: | 3-[(~{E})-5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol |
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 | | BHW | | Name: | Coumermycin A1 | | Formula: | C55 H59 N5 O20 | | SMILES: | CO[CH]1[CH](OC(=O)c2[nH]c(C)cc2)[CH](O)[CH](Oc3ccc4C(=C(NC(=O)c5[nH]cc(C(=O)NC6=C(O)c7ccc(O[CH]8OC(C)(C)[CH](OC)[CH](OC(=O)c9[nH]c(C)cc9)[CH]8O)c(C)c7OC6=O)c5C)C(=O)Oc4c3C)O)OC1(C)C | | InChi: | InChI=1S/C55H59N5O20/c1-21-12-16-29(57-21)48(67)77-42-38(63)52(79-54(6,7)44(42)71-10)73-31-18-14-26-36(61)34(50(69)75-40(26)24(31)4)59-46(65)28-20-56-33(23(28)3)47(66)60-35-37(62)27-15-19-32(25(5)41(27)76-51(35)70)74-53-39(64)43(45(72-11)55(8,9)80-53)78-49(68)30-17-13-22(2)58-30/h12-20,38-39,42-45,52-53,56-58,61-64H,1-11H3,(H,59,65)(H,60,66)/t38-,39-,42+,43+,44-,45-,52-,53-/m1/s1 | | Definition date: | 2017-10-04 | | Last modified: | 2019-04-05 | | Release date: | 2019-04-10 | | Identifier: | [(3~{R},4~{S},5~{R},6~{R})-3-methoxy-6-[3-[[5-[[7-[(2~{R},3~{R},4~{S},5~{R})-5-methoxy-6,6-dimethyl-4-[(5-methyl-1~{H}-pyrrol-2-yl)carbonyloxy]-3-oxidanyl-oxan-2-yl]oxy-8-methyl-4-oxidanyl-2-oxidanylidene-chromen-3-yl]carbamoyl]-4-methyl-1~{H}-pyrrol-3-yl]carbonylamino]-8-methyl-4-oxidanyl-2-oxidanylidene-chromen-7-yl]oxy-2,2-dimethyl-5-oxidanyl-oxan-4-yl] 5-methyl-1~{H}-pyrrole-2-carboxylate |
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 | | GQB | | Name: | ~{N}-[(2-azanyl-3~{H}-1,3-benzothiazol-6-yl)methyl]-1~{H}-indole-2-carboxamide | | Formula: | C17 H16 N4 O S | | SMILES: | NC1=[SH]c2cc(CNC(=O)c3[nH]c4ccccc4c3)ccc2N1 | | InChi: | InChI=1S/C17H16N4OS/c18-17-21-13-6-5-10(7-15(13)23-17)9-19-16(22)14-8-11-3-1-2-4-12(11)20-14/h1-8,20-21,23H,9,18H2,(H,19,22) | | Definition date: | 2018-10-03 | | Last modified: | 2019-04-05 | | Release date: | 2019-04-10 | | Identifier: | ~{N}-[(2-azanyl-3~{H}-1,3-benzothiazol-6-yl)methyl]-1~{H}-indole-2-carboxamide |
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 | | GRV | | Name: | 2-methyl-~{N}-(2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide | | Formula: | C13 H17 N3 O | | SMILES: | CC(C)CNC(=O)c1n2ccccc2nc1C | | InChi: | InChI=1S/C13H17N3O/c1-9(2)8-14-13(17)12-10(3)15-11-6-4-5-7-16(11)12/h4-7,9H,8H2,1-3H3,(H,14,17) | | Definition date: | 2018-06-01 | | Last modified: | 2019-04-05 | | Release date: | 2019-04-10 | | Identifier: | 2-methyl-~{N}-(2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide |
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 | | GT7 | | Name: | 2-cyano-~{N}-cyclohexyl-ethanamide | | Formula: | C9 H14 N2 O | | SMILES: | O=C(CC#N)NC1CCCCC1 | | InChi: | InChI=1S/C9H14N2O/c10-7-6-9(12)11-8-4-2-1-3-5-8/h8H,1-6H2,(H,11,12) | | Definition date: | 2018-06-01 | | Last modified: | 2019-04-05 | | Release date: | 2019-04-10 | | Identifier: | 2-cyano-~{N}-cyclohexyl-ethanamide |
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 | | GTJ | | Name: | ~{N}-(1-propylbenzimidazol-2-yl)propanamide | | Formula: | C13 H17 N3 O | | SMILES: | CCCn1c(NC(=O)CC)nc2ccccc12 | | InChi: | InChI=1S/C13H17N3O/c1-3-9-16-11-8-6-5-7-10(11)14-13(16)15-12(17)4-2/h5-8H,3-4,9H2,1-2H3,(H,14,15,17) | | Definition date: | 2018-06-01 | | Last modified: | 2019-04-05 | | Release date: | 2019-04-10 | | Identifier: | ~{N}-(1-propylbenzimidazol-2-yl)propanamide |
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 | | GUG | | Name: | ~{N}-propan-2-ylquinoline-2-carboxamide | | Formula: | C13 H14 N2 O | | SMILES: | CC(C)NC(=O)c1ccc2ccccc2n1 | | InChi: | InChI=1S/C13H14N2O/c1-9(2)14-13(16)12-8-7-10-5-3-4-6-11(10)15-12/h3-9H,1-2H3,(H,14,16) | | Definition date: | 2018-06-01 | | Last modified: | 2019-04-05 | | Release date: | 2019-04-10 | | Identifier: | ~{N}-propan-2-ylquinoline-2-carboxamide |
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 | | GUV | | Name: | 1-methyl-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea | | Formula: | C13 H14 N4 O | | SMILES: | CNC(=O)Nc1cccc(c1)c2ccnc(C)n2 | | InChi: | InChI=1S/C13H14N4O/c1-9-15-7-6-12(16-9)10-4-3-5-11(8-10)17-13(18)14-2/h3-8H,1-2H3,(H2,14,17,18) | | Definition date: | 2018-06-01 | | Last modified: | 2019-04-05 | | Release date: | 2019-04-10 | | Identifier: | 1-methyl-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea |
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 | | GV4 | | Name: | 2-cyano-~{N}-(1,3,5-trimethylpyrazol-4-yl)ethanamide | | Formula: | C9 H12 N4 O | | SMILES: | Cn1nc(C)c(NC(=O)CC#N)c1C | | InChi: | InChI=1S/C9H12N4O/c1-6-9(7(2)13(3)12-6)11-8(14)4-5-10/h4H2,1-3H3,(H,11,14) | | Definition date: | 2018-06-01 | | Last modified: | 2019-04-05 | | Release date: | 2019-04-10 | | Identifier: | 2-cyano-~{N}-(1,3,5-trimethylpyrazol-4-yl)ethanamide |
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 | | GVV | | Name: | ~{N}-(4-methyl-2-oxidanyl-phenyl)propanamide | | Formula: | C10 H13 N O2 | | SMILES: | CCC(=O)Nc1ccc(C)cc1O | | InChi: | InChI=1S/C10H13NO2/c1-3-10(13)11-8-5-4-7(2)6-9(8)12/h4-6,12H,3H2,1-2H3,(H,11,13) | | Definition date: | 2018-06-01 | | Last modified: | 2019-04-05 | | Release date: | 2019-04-10 | | Identifier: | ~{N}-(4-methyl-2-oxidanyl-phenyl)propanamide |
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 | | GVY | | Name: | 4-(5-amino-1,3,4-thiadiazol-2-yl)phenol | | Formula: | C8 H7 N3 O S | | SMILES: | n2c(c1ccc(cc1)O)sc(N)n2 | | InChi: | InChI=1S/C8H7N3OS/c9-8-11-10-7(13-8)5-1-3-6(12)4-2-5/h1-4,12H,(H2,9,11) | | Definition date: | 2018-06-01 | | Last modified: | 2019-04-05 | | Release date: | 2019-04-10 | | Identifier: | 4-(5-amino-1,3,4-thiadiazol-2-yl)phenol |
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 | | GWA | | Name: | ~{N}-(3-acetamidophenyl)-2-methoxy-ethanamide | | Formula: | C11 H14 N2 O3 | | SMILES: | COCC(=O)Nc1cccc(NC(C)=O)c1 | | InChi: | InChI=1S/C11H14N2O3/c1-8(14)12-9-4-3-5-10(6-9)13-11(15)7-16-2/h3-6H,7H2,1-2H3,(H,12,14)(H,13,15) | | Definition date: | 2018-06-01 | | Last modified: | 2019-04-05 | | Release date: | 2019-04-10 | | Identifier: | ~{N}-(3-acetamidophenyl)-2-methoxy-ethanamide |
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 | | EJQ | | Name: | ~{N}-(4-fluorophenyl)-2-pyrrolidin-1-yl-ethanamide | | Formula: | C12 H15 F N2 O | | SMILES: | Fc1ccc(NC(=O)CN2CCCC2)cc1 | | InChi: | InChI=1S/C12H15FN2O/c13-10-3-5-11(6-4-10)14-12(16)9-15-7-1-2-8-15/h3-6H,1-2,7-9H2,(H,14,16) | | Definition date: | 2018-03-23 | | Last modified: | 2019-04-05 | | Release date: | 2019-04-10 | | Identifier: | ~{N}-(4-fluorophenyl)-2-pyrrolidin-1-yl-ethanamide |
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 | | EJW | | Name: | (3-phenyl-1,2-oxazol-5-yl)methylazanium | | Formula: | C10 H11 N2 O | | SMILES: | [NH3+]Cc1onc(c1)c2ccccc2 | | InChi: | InChI=1S/C10H10N2O/c11-7-9-6-10(12-13-9)8-4-2-1-3-5-8/h1-6H,7,11H2/p+1 | | Definition date: | 2018-03-23 | | Last modified: | 2019-04-05 | | Release date: | 2019-04-10 | | Identifier: | (3-phenyl-1,2-oxazol-5-yl)methylazanium |
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 | | ELK | | Name: | ~{N}-(3-methoxy-4-methyl-phenyl)-4-(4-methoxy-2-oxidanylidene-3~{H}-benzimidazol-1-yl)piperidine-1-carboxamide | | Formula: | C22 H26 N4 O4 | | SMILES: | COc1cc(NC(=O)N2CCC(CC2)N3C(=O)Nc4c(OC)cccc34)ccc1C | | InChi: | InChI=1S/C22H26N4O4/c1-14-7-8-15(13-19(14)30-3)23-21(27)25-11-9-16(10-12-25)26-17-5-4-6-18(29-2)20(17)24-22(26)28/h4-8,13,16H,9-12H2,1-3H3,(H,23,27)(H,24,28) | | Definition date: | 2018-03-27 | | Last modified: | 2019-04-05 | | Release date: | 2019-04-10 | | Identifier: | ~{N}-(3-methoxy-4-methyl-phenyl)-4-(4-methoxy-2-oxidanylidene-3~{H}-benzimidazol-1-yl)piperidine-1-carboxamide |
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 | | ELN | | Name: | ~{N}-(4-chlorophenyl)-2-cyano-ethanamide | | Formula: | C9 H7 Cl N2 O | | SMILES: | Clc1ccc(NC(=O)CC#N)cc1 | | InChi: | InChI=1S/C9H7ClN2O/c10-7-1-3-8(4-2-7)12-9(13)5-6-11/h1-4H,5H2,(H,12,13) | | Definition date: | 2018-03-27 | | Last modified: | 2019-04-05 | | Release date: | 2019-04-10 | | Identifier: | ~{N}-(4-chlorophenyl)-2-cyano-ethanamide |
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 | | KFV | | Name: | [1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-1-oxidanylidene-propan-2-ylidene]-bis(oxidanidyl)azanium | | Formula: | C24 H38 N8 O19 P3 S | | SMILES: | n1cnc2c(c1N)ncn2C3C(O)C(C(O3)COP(OP(OCC(C(C(=O)NCCC(=O)NCCSC(C(=[N+]([O-])[O-])C)=O)O)(C)C)(=O)O)(O)=O)OP(O)(O)=O | | InChi: | InChI=1S/C24H38N8O19P3S/c1-12(32(38)39)23(37)55-7-6-26-14(33)4-5-27-21(36)18(35)24(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)31-11-30-15-19(25)28-10-29-20(15)31/h10-11,13,16-18,22,34-35H,4-9H2,1-3H3,(H8-,25,26,27,28,29,33,36,37,38,39,40,41,42,43,44,45,46)/q-1/t13-,16-,17-,18+,22-/m1/s1 | | Definition date: | 2018-12-03 | | Last modified: | 2019-04-05 | | Release date: | 2019-04-10 | | Identifier: | [(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-20-(dioxido-lambda~5~-azanylidene)-3,5,9-trihydroxy-8,8,20-trimethyl-3,5-dioxido-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaicos-1-yl]oxidanide (non-preferred name) |
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 | | KGJ | | Name: | [1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylamino]-1-oxidanylidene-propan-2-ylidene]-bis(oxidanidyl)azanium | | Formula: | C24 H39 N9 O19 P3 | | SMILES: | n1c(c2c(nc1)n(cn2)C3OC(C(C3O)OP(=O)(O)O)COP(OP(OCC(C)(C)C(O)C(=O)NCCC(=O)NCCNC(=O)/C(C)=[N+]([O-])[O-])(O)=O)(O)=O)N | | InChi: | InChI=1S/C24H39N9O19P3/c1-12(33(39)40)21(37)28-7-6-26-14(34)4-5-27-22(38)18(36)24(2,3)9-49-55(46,47)52-54(44,45)48-8-13-17(51-53(41,42)43)16(35)23(50-13)32-11-31-15-19(25)29-10-30-20(15)32/h10-11,13,16-18,23,35-36H,4-9H2,1-3H3,(H9-,25,26,27,28,29,30,34,37,38,39,40,41,42,43,44,45,46,47)/q-1/t13-,16-,17-,18+,23-/m1/s1 | | Definition date: | 2018-12-03 | | Last modified: | 2019-04-05 | | Release date: | 2019-04-10 | | Identifier: | [(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-20-(dioxido-lambda~5~-azanylidene)-3,5,9-trihydroxy-8,8,20-trimethyl-3,5-dioxido-10,14,19-trioxo-2,4,6-trioxa-11,15,18-triaza-3lambda~5~,5lambda~5~-diphosphaicos-1-yl]oxidanide (non-preferred name) |
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 | | KOY | | Name: | 5'-O-{3-[3-(2-carboxyphenyl)-3-oxopropyl]phenyl}adenosine | | Formula: | C26 H25 N5 O7 | | SMILES: | c12n(cnc1c(ncn2)N)C5OC(COc4cc(CCC(c3c(C(O)=O)cccc3)=O)ccc4)C(O)C5O | | InChi: | InChI=1S/C26H25N5O7/c27-23-20-24(29-12-28-23)31(13-30-20)25-22(34)21(33)19(38-25)11-37-15-5-3-4-14(10-15)8-9-18(32)16-6-1-2-7-17(16)26(35)36/h1-7,10,12-13,19,21-22,25,33-34H,8-9,11H2,(H,35,36)(H2,27,28,29)/t19-,21-,22-,25-/m1/s1 | | Definition date: | 2019-01-03 | | Last modified: | 2019-04-05 | | Release date: | 2019-04-10 | | Identifier: | 5'-O-{3-[3-(2-carboxyphenyl)-3-oxopropyl]phenyl}adenosine |
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 | | JJH | | Name: | cadazolid | | Formula: | C29 H29 F2 N3 O8 | | SMILES: | OC[CH]1CN(C(=O)O1)c2ccc(OCC3(O)CCN(CC3)c4cc5N(C=C(C(O)=O)C(=O)c5cc4F)C6CC6)c(F)c2 | | InChi: | InChI=1S/C29H29F2N3O8/c30-21-10-19-23(33(16-1-2-16)13-20(26(19)36)27(37)38)11-24(21)32-7-5-29(40,6-8-32)15-41-25-4-3-17(9-22(25)31)34-12-18(14-35)42-28(34)39/h3-4,9-11,13,16,18,35,40H,1-2,5-8,12,14-15H2,(H,37,38)/t18-/m1/s1 | | Definition date: | 2019-02-28 | | Last modified: | 2019-04-05 | | Release date: | 2019-04-10 | | Identifier: | 1-cyclopropyl-6-fluoranyl-7-[4-[[2-fluoranyl-4-[(5~{R})-5-(hydroxymethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]phenoxy]methyl]-4-oxidanyl-piperidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid |
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 | | JN2 | | Name: | 3-(4-fluorophenyl)-~{N}-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]benzamide | | Formula: | C19 H20 F N O6 | | SMILES: | OC[CH]1O[CH](NC(=O)c2cccc(c2)c3ccc(F)cc3)[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C19H20FNO6/c20-13-6-4-10(5-7-13)11-2-1-3-12(8-11)18(26)21-19-17(25)16(24)15(23)14(9-22)27-19/h1-8,14-17,19,22-25H,9H2,(H,21,26)/t14-,15-,16+,17-,19-/m1/s1 | | Definition date: | 2019-03-13 | | Last modified: | 2019-04-05 | | Release date: | 2019-04-10 | | Identifier: | 3-(4-fluorophenyl)-~{N}-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]benzamide |
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