 | | 4IE | | Name: | [4-(2-bromophenyl)phenyl]methyl-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-dimethyl-azanium | | Formula: | C25 H31 Br N | | SMILES: | CC1(C)[CH]2CC=C(C[N+](C)(C)Cc3ccc(cc3)c4ccccc4Br)[CH]1C2 | | InChi: | InChI=1S/C25H31BrN/c1-25(2)21-14-13-20(23(25)15-21)17-27(3,4)16-18-9-11-19(12-10-18)22-7-5-6-8-24(22)26/h5-13,21,23H,14-17H2,1-4H3/q+1/t21-,23-/m0/s1 | | Synonyms: | VUF11222 | | Definition date: | 2023-01-05 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | [4-(2-bromophenyl)phenyl]methyl-[[(1~{R},5~{S})-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-dimethyl-azanium |
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 | | K1L | | Name: | 9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-9-fluoranyl-3,12,18-tris(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one | | Formula: | C21 H24 F N9 O11 P2 | | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](C[CH]5CO[P](O)(=O)O[CH]4[CH]3F)n6cnc7C(=O)N=CNc67 | | InChi: | InChI=1S/C21H24FN9O11P2/c22-11-16-10(40-21(11)31-7-28-12-17(23)24-4-25-18(12)31)3-39-44(36,37)41-15-8(2-38-43(34,35)42-16)1-9(14(15)32)30-6-29-13-19(30)26-5-27-20(13)33/h4-11,14-16,21,32H,1-3H2,(H,34,35)(H,36,37)(H2,23,24,25)(H,26,27,33)/t8-,9-,10-,11-,14+,15-,16-,21-/m1/s1 | | Definition date: | 2022-05-16 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | 9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-9-fluoranyl-3,12,18-tris(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one |
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 | | VZF | | Name: | 2-[bis(2-hydroxyethyl)amino]-6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7~{H}-purin-8-one | | Formula: | C20 H28 N6 O4 | | SMILES: | COc1ccc(CNc2nc(nc3N(C(C)C)C(=O)Nc23)N(CCO)CCO)cc1 | | InChi: | InChI=1S/C20H28N6O4/c1-13(2)26-18-16(22-20(26)29)17(21-12-14-4-6-15(30-3)7-5-14)23-19(24-18)25(8-10-27)9-11-28/h4-7,13,27-28H,8-12H2,1-3H3,(H,22,29)(H,21,23,24) | | Definition date: | 2023-09-06 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | 2-[bis(2-hydroxyethyl)amino]-6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7~{H}-purin-8-one |
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 | | XUZ | | Name: | N-{(3R,6M)-3-(2-chloro-5-fluorophenyl)-6-[(4S)-5-cyano[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-3-fluoro-5-(trifluoromethyl)benzamide | | Formula: | C29 H14 Cl F5 N6 O2 | | SMILES: | FC(F)(F)c1cc(cc(F)c1)C(=O)Nc1cc(cc2C(=O)NC(c3cc(F)ccc3Cl)c21)c1ccc2ncnn2c1C#N | | InChi: | InChI=1S/C29H14ClF5N6O2/c30-21-3-1-16(31)10-19(21)26-25-20(28(43)40-26)7-13(18-2-4-24-37-12-38-41(24)23(18)11-36)8-22(25)39-27(42)14-5-15(29(33,34)35)9-17(32)6-14/h1-10,12,26H,(H,39,42)(H,40,43)/t26-/m0/s1 | | Synonyms: | RLY-2608 | | Definition date: | 2023-11-13 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | N-{(3R,6M)-3-(2-chloro-5-fluorophenyl)-6-[(4S)-5-cyano[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-3-fluoro-5-(trifluoromethyl)benzamide |
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 | | TIJ | | Name: | 5,7-bis(oxidanyl)-2-[1-(phenylmethyl)indol-3-yl]chromen-4-one | | Formula: | C24 H17 N O4 | | SMILES: | Oc1cc(O)c2C(=O)C=C(Oc2c1)c3cn(Cc4ccccc4)c5ccccc35 | | InChi: | InChI=1S/C24H17NO4/c26-16-10-20(27)24-21(28)12-22(29-23(24)11-16)18-14-25(13-15-6-2-1-3-7-15)19-9-5-4-8-17(18)19/h1-12,14,26-27H,13H2 | | Definition date: | 2023-01-05 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | 5,7-bis(oxidanyl)-2-[1-(phenylmethyl)indol-3-yl]chromen-4-one |
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 | | XE3 | | Name: | 2-[[2-methyl-5-(trifluoromethyl)phenyl]amino]-~{N}-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide | | Formula: | C17 H19 F3 N4 O5 S | | SMILES: | Cc1ccc(cc1Nc2occ(n2)C(=O)N[S](=O)(=O)N3CCCOCC3)C(F)(F)F | | InChi: | InChI=1S/C17H19F3N4O5S/c1-11-3-4-12(17(18,19)20)9-13(11)21-16-22-14(10-29-16)15(25)23-30(26,27)24-5-2-7-28-8-6-24/h3-4,9-10H,2,5-8H2,1H3,(H,21,22)(H,23,25) | | Definition date: | 2023-10-31 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | 2-[[2-methyl-5-(trifluoromethyl)phenyl]amino]-~{N}-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide |
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 | | WJC | | Name: | 5-methyl-2-[(3-phenylmethoxyphenyl)amino]benzoic acid | | Formula: | C21 H19 N O3 | | SMILES: | Cc1ccc(Nc2cccc(OCc3ccccc3)c2)c(c1)C(O)=O | | InChi: | InChI=1S/C21H19NO3/c1-15-10-11-20(19(12-15)21(23)24)22-17-8-5-9-18(13-17)25-14-16-6-3-2-4-7-16/h2-13,22H,14H2,1H3,(H,23,24) | | Definition date: | 2023-05-15 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | 5-methyl-2-[(3-phenylmethoxyphenyl)amino]benzoic acid |
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 | | ZJ9 | | Name: | ~{N}-[(1~{R})-2,3-dihydro-1~{H}-inden-1-yl]-5-[4-(dimethylcarbamoyl)-3-oxidanyl-phenyl]-1,2-oxazole-3-carboxamide | | Formula: | C22 H21 N3 O4 | | SMILES: | CN(C)C(=O)c1ccc(cc1O)c2onc(c2)C(=O)N[CH]3CCc4ccccc34 | | InChi: | InChI=1S/C22H21N3O4/c1-25(2)22(28)16-9-7-14(11-19(16)26)20-12-18(24-29-20)21(27)23-17-10-8-13-5-3-4-6-15(13)17/h3-7,9,11-12,17,26H,8,10H2,1-2H3,(H,23,27)/t17-/m1/s1 | | Definition date: | 2023-06-26 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | ~{N}-[(1~{R})-2,3-dihydro-1~{H}-inden-1-yl]-5-[4-(dimethylcarbamoyl)-3-oxidanyl-phenyl]-1,2-oxazole-3-carboxamide |
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 | | NF0 | | Name: | butyl 3,4,5-tris(oxidanyl)benzoate | | Formula: | C11 H14 O5 | | SMILES: | CCCCOC(=O)c1cc(O)c(O)c(O)c1 | | InChi: | InChI=1S/C11H14O5/c1-2-3-4-16-11(15)7-5-8(12)10(14)9(13)6-7/h5-6,12-14H,2-4H2,1H3 | | Synonyms: | butyl gallate | | Definition date: | 2023-01-13 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | butyl 3,4,5-tris(oxidanyl)benzoate |
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 | | ZJF | | Name: | ~{N}-cyclopentyl-1-(3-hydroxyphenyl)imidazole-4-carboxamide | | Formula: | C15 H17 N3 O2 | | SMILES: | Oc1cccc(c1)n2cnc(c2)C(=O)NC3CCCC3 | | InChi: | InChI=1S/C15H17N3O2/c19-13-7-3-6-12(8-13)18-9-14(16-10-18)15(20)17-11-4-1-2-5-11/h3,6-11,19H,1-2,4-5H2,(H,17,20) | | Definition date: | 2023-06-26 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | ~{N}-cyclopentyl-1-(3-hydroxyphenyl)imidazole-4-carboxamide |
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 | | T5U | | Name: | (4S)-4-[(2S)-2-phenylbutyl]-1,3-oxazolidin-2-imine | | Formula: | C13 H18 N2 O | | SMILES: | CC[CH](C[CH]1COC(=N)N1)c2ccccc2 | | InChi: | InChI=1S/C13H18N2O/c1-2-10(11-6-4-3-5-7-11)8-12-9-16-13(14)15-12/h3-7,10,12H,2,8-9H2,1H3,(H2,14,15)/t10-,12-/m0/s1 | | Synonyms: | RO5256390 | | Definition date: | 2023-09-05 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | (4~{S})-4-[(2~{S})-2-phenylbutyl]-1,3-oxazolidin-2-imine |
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 | | UE9 | | Name: | 5-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide | | Formula: | C22 H18 F4 N4 O2 | | SMILES: | FC(F)(F)c1cc(cc(F)c1)C(=O)Nc1cc(cnc1Nc1ccccc1C)C(=O)NC | | InChi: | InChI=1S/C22H18F4N4O2/c1-12-5-3-4-6-17(12)29-19-18(9-14(11-28-19)20(31)27-2)30-21(32)13-7-15(22(24,25)26)10-16(23)8-13/h3-11H,1-2H3,(H,27,31)(H,28,29)(H,30,32) | | Definition date: | 2023-09-04 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | 5-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide |
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 | | T8R | | Name: | 5,7-bis(oxidanyl)-2-(1-pentylindol-3-yl)chromen-4-one | | Formula: | C22 H21 N O4 | | SMILES: | CCCCCn1cc(C2=CC(=O)c3c(O)cc(O)cc3O2)c4ccccc14 | | InChi: | InChI=1S/C22H21NO4/c1-2-3-6-9-23-13-16(15-7-4-5-8-17(15)23)20-12-19(26)22-18(25)10-14(24)11-21(22)27-20/h4-5,7-8,10-13,24-25H,2-3,6,9H2,1H3 | | Definition date: | 2023-01-04 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | 5,7-bis(oxidanyl)-2-(1-pentylindol-3-yl)chromen-4-one |
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 | | UIW | | Name: | 5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide | | Formula: | C21 H18 Br F N4 O2 | | SMILES: | Fc1cc(cc(Br)c1)C(=O)Nc1cc(cnc1Nc1ccccc1C)C(=O)NC | | InChi: | InChI=1S/C21H18BrFN4O2/c1-12-5-3-4-6-17(12)26-19-18(9-14(11-25-19)20(28)24-2)27-21(29)13-7-15(22)10-16(23)8-13/h3-11H,1-2H3,(H,24,28)(H,25,26)(H,27,29) | | Definition date: | 2023-09-05 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | 5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide |
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 | | W7R | | Name: | 2-[[(2~{S})-2-methylmorpholin-4-yl]methyl]-~{N}-[(3~{S})-2-oxidanylidene-5-phenyl-1,3-dihydropyrido[3,4-e][1,4]diazepin-3-yl]benzamide | | Formula: | C27 H27 N5 O3 | | SMILES: | C[CH]1CN(CCO1)Cc2ccccc2C(=O)N[CH]3N=C(c4ccccc4)c5ccncc5NC3=O | | InChi: | InChI=1S/C27H27N5O3/c1-18-16-32(13-14-35-18)17-20-9-5-6-10-21(20)26(33)31-25-27(34)29-23-15-28-12-11-22(23)24(30-25)19-7-3-2-4-8-19/h2-12,15,18,25H,13-14,16-17H2,1H3,(H,29,34)(H,31,33)/t18-,25+/m0/s1 | | Definition date: | 2023-09-27 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | 2-[[(2~{S})-2-methylmorpholin-4-yl]methyl]-~{N}-[(3~{S})-2-oxidanylidene-5-phenyl-1,3-dihydropyrido[3,4-e][1,4]diazepin-3-yl]benzamide |
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 | | U42 | | Name: | [(2~{R},3~{S},4~{S},5~{R},6~{R})-6-[(6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E})-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl pentadecanoate | | Formula: | C61 H96 O7 | | SMILES: | CCCCCCCCCCCCCCC(=O)OC[CH]1O[CH](OC(C)(C)CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2=C(C)CCCC2(C)C)[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C61H96O7/c1-12-13-14-15-16-17-18-19-20-21-22-23-41-55(62)66-46-54-56(63)57(64)58(65)59(67-54)68-61(10,11)45-29-39-50(5)37-27-36-49(4)35-26-33-47(2)31-24-25-32-48(3)34-28-38-51(6)42-43-53-52(7)40-30-44-60(53,8)9/h24-28,31-38,42-43,54,56-59,63-65H,12-23,29-30,39-41,44-46H2,1-11H3/b25-24+,33-26+,34-28+,36-27+,43-42+,47-31+,48-32+,49-35+,50-37+,51-38+/t54-,56-,57+,58-,59-/m1/s1 | | Definition date: | 2023-05-15 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | [(2~{R},3~{S},4~{S},5~{R},6~{R})-6-[(6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E})-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl pentadecanoate |
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 | | UJC | | Name: | (1S)-7-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-1-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindole-5-carboxamide | | Formula: | C25 H19 F4 N3 O3 | | SMILES: | FC(F)(F)c1cc(cc(F)c1)C(=O)Nc1cc(cc2C(=O)NC(c21)c1ccccc1C)C(=O)NC | | InChi: | InChI=1S/C25H19F4N3O3/c1-12-5-3-4-6-17(12)21-20-18(24(35)32-21)9-14(22(33)30-2)10-19(20)31-23(34)13-7-15(25(27,28)29)11-16(26)8-13/h3-11,21H,1-2H3,(H,30,33)(H,31,34)(H,32,35)/t21-/m0/s1 | | Definition date: | 2023-09-05 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | (1S)-7-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-1-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindole-5-carboxamide |
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 | | W89 | | Name: | 2-(morpholin-4-ylmethyl)-~{N}-[(3~{S})-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide | | Formula: | C27 H26 N4 O3 | | SMILES: | O=C1Nc2ccccc2C(=N[CH]1NC(=O)c3ccccc3CN4CCOCC4)c5ccccc5 | | InChi: | InChI=1S/C27H26N4O3/c32-26(21-11-5-4-10-20(21)18-31-14-16-34-17-15-31)30-25-27(33)28-23-13-7-6-12-22(23)24(29-25)19-8-2-1-3-9-19/h1-13,25H,14-18H2,(H,28,33)(H,30,32)/t25-/m1/s1 | | Definition date: | 2023-09-27 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | 2-(morpholin-4-ylmethyl)-~{N}-[(3~{S})-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide |
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 | | VSN | | Name: | 5'-O-[(R)-hydroxy(thiophosphonooxy)phosphoryl]guanosine | | Formula: | C10 H15 N5 O10 P2 S | | SMILES: | OP(O)(=S)OP(=O)(O)OCC1OC(n2cnc3c2N=C(N)NC3=O)C(O)C1O | | InChi: | InChI=1S/C10H15N5O10P2S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(24-9)1-23-26(19,20)25-27(21,22)28/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H2,21,22,28)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 | | Definition date: | 2023-09-16 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | 5'-O-[(R)-hydroxy(thiophosphonooxy)phosphoryl]guanosine |
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 | | W9X | | Name: | [6-azanyl-5-(2,6-dimethyl-3-oxidanyl-phenyl)-2,3-dimethyl-pyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazin-5-yl)methanone | | Formula: | C23 H25 N7 O2 | | SMILES: | Cc1ccc(O)c(C)c1n2c(N)c(C(=O)N3CCn4nccc4C3)c5nc(C)c(C)nc25 | | InChi: | InChI=1S/C23H25N7O2/c1-12-5-6-17(31)13(2)20(12)30-21(24)18(19-22(30)27-15(4)14(3)26-19)23(32)28-9-10-29-16(11-28)7-8-25-29/h5-8,31H,9-11,24H2,1-4H3 | | Definition date: | 2023-09-29 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | [6-azanyl-5-(2,6-dimethyl-3-oxidanyl-phenyl)-2,3-dimethyl-pyrrolo[2,3-b]pyrazin-7-yl]-(6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazin-5-yl)methanone |
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 | | WSB | | Name: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]uridine | | Formula: | C10 H17 N2 O14 P3 | | SMILES: | O=P(O)(O)OP(=O)(O)CP(=O)(O)OCC1OC(N2C=CC(=O)NC2=O)C(O)C1O | | InChi: | InChI=1S/C10H17N2O14P3/c13-6-1-2-12(10(16)11-6)9-8(15)7(14)5(25-9)3-24-27(17,18)4-28(19,20)26-29(21,22)23/h1-2,5,7-9,14-15H,3-4H2,(H,17,18)(H,19,20)(H,11,13,16)(H2,21,22,23)/t5-,7-,8-,9-/m1/s1 | | Definition date: | 2023-05-17 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]uridine |
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 | | WT3 | | Name: | 6-(4-fluoranyl-3-methoxy-phenyl)-13$l^{6}-thia-2,4,8,12,19-pentazatricyclo[12.3.1.1^{3,7}]nonadeca-1(18),3,5,7(19),14,16-hexaene 13,13-dioxide | | Formula: | C20 H20 F N5 O3 S | | SMILES: | COc1cc(ccc1F)c2cnc3Nc4cccc(c4)[S](=O)(=O)NCCCNc2n3 | | InChi: | InChI=1S/C20H20FN5O3S/c1-29-18-10-13(6-7-17(18)21)16-12-23-20-25-14-4-2-5-15(11-14)30(27,28)24-9-3-8-22-19(16)26-20/h2,4-7,10-12,24H,3,8-9H2,1H3,(H2,22,23,25,26) | | Definition date: | 2023-10-11 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | 6-(4-fluoranyl-3-methoxy-phenyl)-13$l^{6}-thia-2,4,8,12,19-pentazatricyclo[12.3.1.1^{3,7}]nonadeca-1(18),3,5,7(19),14,16-hexaene 13,13-dioxide |
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 | | WUH | | Name: | Thymine dimer | | Formula: | C20 H28 N4 O15 P2 | | SMILES: | CC1=C([O-])NC(=O)N2[CH]3C[CH](O)[CH](CO[P](O)(=O)O[CH]4C[CH](O[CH]4CO[P](O)(O)=O)N5[CH]([CH]12)C(=C([O-])NC5=O)C)O3 | | InChi: | InChI=1S/C20H30N4O15P2/c1-7-15-16-8(2)18(27)22-20(29)24(16)14-4-10(12(38-14)6-35-40(30,31)32)39-41(33,34)36-5-11-9(25)3-13(37-11)23(15)19(28)21-17(7)26/h9-16,25-27H,3-6H2,1-2H3,(H,21,28)(H,22,29)(H,33,34)(H2,30,31,32)/p-2/t9-,10-,11+,12+,13+,14+,15-,16+/m0/s1 | | Definition date: | 2023-05-18 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 |
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 | | ZUL | | Name: | 4-fluoranyl-2-[(3-phenylphenyl)amino]benzoic acid | | Formula: | C19 H14 F N O2 | | SMILES: | OC(=O)c1ccc(F)cc1Nc2cccc(c2)c3ccccc3 | | InChi: | InChI=1S/C19H14FNO2/c20-15-9-10-17(19(22)23)18(12-15)21-16-8-4-7-14(11-16)13-5-2-1-3-6-13/h1-12,21H,(H,22,23) | | Definition date: | 2023-07-05 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | 4-fluoranyl-2-[(3-phenylphenyl)amino]benzoic acid |
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 | | XRU | | Name: | (3S)-N-(4-chloro-3-{[2-(diethylamino)ethyl]carbamoyl}phenyl)-3-(diethylamino)pyrrolidine-1-carboxamide | | Formula: | C22 H36 Cl N5 O2 | | SMILES: | O=C(Nc1cc(C(=O)NCCN(CC)CC)c(Cl)cc1)N1CCC(C1)N(CC)CC | | InChi: | InChI=1S/C22H36ClN5O2/c1-5-26(6-2)14-12-24-21(29)19-15-17(9-10-20(19)23)25-22(30)28-13-11-18(16-28)27(7-3)8-4/h9-10,15,18H,5-8,11-14,16H2,1-4H3,(H,24,29)(H,25,30)/t18-/m0/s1 | | Definition date: | 2023-11-09 | | Last modified: | 2023-11-17 | | Release date: | 2023-11-22 | | Identifier: | (3S)-N-(4-chloro-3-{[2-(diethylamino)ethyl]carbamoyl}phenyl)-3-(diethylamino)pyrrolidine-1-carboxamide |
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