| 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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| 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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| KG7 | Name: | (2E)-2-(hydroxyimino)propanoic acid | Formula: | C3 H5 N O3 | SMILES: | O=C(O)C(=NO)C | InChi: | InChI=1S/C3H5NO3/c1-2(4-7)3(5)6/h7H,1H3,(H,5,6)/b4-2+ | Definition date: | 2018-12-03 | Last modified: | 2019-04-05 | Release date: | 2019-04-10 | Identifier: | (2E)-2-(hydroxyimino)propanoic acid |
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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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| 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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| LCV | Name: | (2~{S})-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]ethoxy]-1-oxidanylidene-propane-2-sulfonic acid | Formula: | C24 H40 N7 O21 P3 S | SMILES: | c3nc2n(C1OC(COP(OP(OCC(C(C(NCCC(NCCOC(C(S(=O)(=O)O)C)=O)=O)=O)O)(C)C)(O)=O)(=O)O)C(C1O)OP(O)(=O)O)cnc2c(N)n3 | InChi: | InChI=1S/C24H40N7O21P3S/c1-12(56(44,45)46)23(36)47-7-6-26-14(32)4-5-27-21(35)18(34)24(2,3)9-49-55(42,43)52-54(40,41)48-8-13-17(51-53(37,38)39)16(33)22(50-13)31-11-30-15-19(25)28-10-29-20(15)31/h10-13,16-18,22,33-34H,4-9H2,1-3H3,(H,26,32)(H,27,35)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)(H,44,45,46)/t12-,13+,16+,17+,18-,22+/m0/s1 | Definition date: | 2019-02-21 | Last modified: | 2019-04-05 | Release date: | 2019-04-10 | Identifier: | (3S,5R,9R,20S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6,18-tetraoxa-11,15-diaza-3,5-diphosphahenicosane-20-sulfonic acid 3,5-dioxide (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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| HJ5 | Name: | [(1~{R})-1-[[(2~{S})-2-[[(2~{S})-1-azaniumyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]pent-4-ynyl]-oxidanyl-phosphoryl]-3-phenyl-propyl]azanium | Formula: | C24 H32 N3 O4 P | SMILES: | [NH3+][CH](CCc1ccccc1)[P](O)(=O)C[CH](CC#C)C(=O)N[CH](Cc2ccccc2)C([NH3+])=O | InChi: | InChI=1S/C24H30N3O4P/c1-2-9-20(17-32(30,31)22(25)15-14-18-10-5-3-6-11-18)24(29)27-21(23(26)28)16-19-12-7-4-8-13-19/h1,3-8,10-13,20-22H,9,14-17,25H2,(H2,26,28)(H,27,29)(H,30,31)/p+2/t20-,21+,22-/m1/s1 | Definition date: | 2018-12-07 | Last modified: | 2019-04-05 | Release date: | 2019-04-10 | Identifier: | [(1~{R})-1-[[(2~{S})-2-[[(2~{S})-1-azaniumyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]pent-4-ynyl]-oxidanyl-phosphoryl]-3-phenyl-propyl]azanium |
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| MY7 | Name: | 2-(3-methyl-5-oxidanylidene-4-phenyl-4~{H}-pyrazol-1-yl)-3~{H}-benzimidazole-5-carboxylic acid | Formula: | C18 H14 N4 O3 | SMILES: | CC1=NN(C(=O)[CH]1c2ccccc2)c3[nH]c4cc(ccc4n3)C(O)=O | InChi: | InChI=1S/C18H14N4O3/c1-10-15(11-5-3-2-4-6-11)16(23)22(21-10)18-19-13-8-7-12(17(24)25)9-14(13)20-18/h2-9,15H,1H3,(H,19,20)(H,24,25)/t15-/m0/s1 | Definition date: | 2018-04-03 | Last modified: | 2019-04-05 | Release date: | 2019-04-10 | Identifier: | 2-(3-methyl-5-oxidanylidene-4-phenyl-4~{H}-pyrazol-1-yl)-3~{H}-benzimidazole-5-carboxylic acid |
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| SO5 | Name: | (2~{R})-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]ethoxy]-1-oxidanylidene-propane-2-sulfonic acid | Formula: | C24 H40 N7 O21 P3 S | SMILES: | O=S(=O)(O)C(C)C(=O)OCCNC(CCNC(=O)C(C(C)(COP(O)(=O)OP(O)(=O)OCC3OC(n1cnc2c1ncnc2N)C(C3OP(O)(O)=O)O)C)O)=O | InChi: | InChI=1S/C24H40N7O21P3S/c1-12(56(44,45)46)23(36)47-7-6-26-14(32)4-5-27-21(35)18(34)24(2,3)9-49-55(42,43)52-54(40,41)48-8-13-17(51-53(37,38)39)16(33)22(50-13)31-11-30-15-19(25)28-10-29-20(15)31/h10-13,16-18,22,33-34H,4-9H2,1-3H3,(H,26,32)(H,27,35)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)(H,44,45,46)/t12-,13-,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,20R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6,18-tetraoxa-11,15-diaza-3,5-diphosphahenicosane-20-sulfonic acid 3,5-dioxide (non-preferred name) |
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| HLV | Name: | 2-[(dibenzo[b,d]furan-2-yl)oxy]ethan-1-amine | Formula: | C14 H13 N O2 | SMILES: | c12cc(ccc1oc3c2cccc3)OCCN | InChi: | InChI=1S/C14H13NO2/c15-7-8-16-10-5-6-14-12(9-10)11-3-1-2-4-13(11)17-14/h1-6,9H,7-8,15H2 | Definition date: | 2018-07-12 | Last modified: | 2019-04-05 | Release date: | 2019-04-10 | Identifier: | 2-[(dibenzo[b,d]furan-2-yl)oxy]ethan-1-amine |
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| 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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| D5B | Name: | [8-(azaniumylmethyl)anthracen-1-yl]methylazanium | Formula: | C16 H18 N2 | SMILES: | [NH3+]Cc1cccc2cc3cccc(C[NH3+])c3cc12 | InChi: | InChI=1S/C16H16N2/c17-9-13-5-1-3-11-7-12-4-2-6-14(10-18)16(12)8-15(11)13/h1-8H,9-10,17-18H2/p+2 | Definition date: | 2017-12-21 | Last modified: | 2019-04-05 | Release date: | 2019-04-10 | Identifier: | [8-(azaniumylmethyl)anthracen-1-yl]methylazanium |
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| AEL | Name: | 2-{2-[5-methyl-1-(pyridin-4-yl)-1H-benzimidazol-2-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione | Formula: | C27 H20 N4 O2 | SMILES: | C2(N(C(=O)c1c3c(ccc1)cccc23)CCc5n(c4ccc(C)cc4n5)c6ccncc6)=O | InChi: | InChI=1S/C27H20N4O2/c1-17-8-9-23-22(16-17)29-24(31(23)19-10-13-28-14-11-19)12-15-30-26(32)20-6-2-4-18-5-3-7-21(25(18)20)27(30)33/h2-11,13-14,16H,12,15H2,1H3 | Definition date: | 2018-10-31 | Last modified: | 2019-04-05 | Release date: | 2019-04-10 | Identifier: | 2-{2-[5-methyl-1-(pyridin-4-yl)-1H-benzimidazol-2-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione |
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| AEO | Name: | 2-[2-(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione | Formula: | C22 H16 N4 O2 S | SMILES: | c51c4c(ccc1)C(N(CCC=3N(c2ccccc2)C(=S)NN=3)C(c4ccc5)=O)=O | InChi: | InChI=1S/C22H16N4O2S/c27-20-16-10-4-6-14-7-5-11-17(19(14)16)21(28)25(20)13-12-18-23-24-22(29)26(18)15-8-2-1-3-9-15/h1-11H,12-13H2,(H,24,29) | Definition date: | 2018-10-31 | Last modified: | 2019-04-05 | Release date: | 2019-04-10 | Identifier: | 2-[2-(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione |
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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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| ENZ | Name: | (4~{R})-5-methyl-4-phenyl-2-pyridin-2-yl-pyrazolidin-3-one | Formula: | C15 H15 N3 O | SMILES: | C[CH]1NN(C(=O)[CH]1c2ccccc2)c3ccccn3 | InChi: | InChI=1S/C15H15N3O/c1-11-14(12-7-3-2-4-8-12)15(19)18(17-11)13-9-5-6-10-16-13/h2-11,14,17H,1H3/t11-,14+/m1/s1 | Definition date: | 2018-04-03 | Last modified: | 2019-04-05 | Release date: | 2019-04-10 | Identifier: | (4~{R})-5-methyl-4-phenyl-2-pyridin-2-yl-pyrazolidin-3-one |
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