 | | KGE | | Name: | (2~{S},3~{R})-2-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-3-ol | | Formula: | C6 H11 N O2 | | SMILES: | OC[CH]1NCC=C[CH]1O | | InChi: | InChI=1S/C6H11NO2/c8-4-5-6(9)2-1-3-7-5/h1-2,5-9H,3-4H2/t5-,6+/m0/s1 | | Definition date: | 2019-05-21 | | Last modified: | 2020-07-03 | | Release date: | 2020-07-08 | | Identifier: | (2~{S},3~{R})-2-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-3-ol |
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 | | KGZ | | Name: | 1-[(3~{R},4~{R})-4-(cyanomethyl)-1-[[4-(cyclohexen-1-yl)phenyl]methyl]-3-fluoranyl-piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide | | Formula: | C28 H33 F N6 O2 | | SMILES: | NC(=O)c1cn(nc1NC(=O)C2CC2)[C]3(CCN(C[CH]3F)Cc4ccc(cc4)C5=CCCCC5)CC#N | | InChi: | InChI=1S/C28H33FN6O2/c29-24-18-34(16-19-6-8-21(9-7-19)20-4-2-1-3-5-20)15-13-28(24,12-14-30)35-17-23(25(31)36)26(33-35)32-27(37)22-10-11-22/h4,6-9,17,22,24H,1-3,5,10-13,15-16,18H2,(H2,31,36)(H,32,33,37)/t24-,28+/m1/s1 | | Definition date: | 2019-05-21 | | Last modified: | 2020-07-03 | | Release date: | 2020-07-08 | | Identifier: | 1-[(3~{R},4~{R})-4-(cyanomethyl)-1-[[4-(cyclohexen-1-yl)phenyl]methyl]-3-fluoranyl-piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide |
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 | | KH5 | | Name: | 1-[4-(cyanomethyl)-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide | | Formula: | C28 H30 N6 O2 | | SMILES: | NC(=O)c1cn(nc1NC(=O)C2CC2)C3(CCN(CC3)Cc4ccc(cc4)c5ccccc5)CC#N | | InChi: | InChI=1S/C28H30N6O2/c29-15-12-28(34-19-24(25(30)35)26(32-34)31-27(36)23-10-11-23)13-16-33(17-14-28)18-20-6-8-22(9-7-20)21-4-2-1-3-5-21/h1-9,19,23H,10-14,16-18H2,(H2,30,35)(H,31,32,36) | | Definition date: | 2019-05-21 | | Last modified: | 2020-07-03 | | Release date: | 2020-07-08 | | Identifier: | 1-[4-(cyanomethyl)-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide |
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 | | KH8 | | Name: | 1-[4-(cyanomethyl)-1-[(3-oxidanyl-4-phenyl-phenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide | | Formula: | C28 H30 N6 O3 | | SMILES: | NC(=O)c1cn(nc1NC(=O)C2CC2)C3(CCN(CC3)Cc4ccc(c(O)c4)c5ccccc5)CC#N | | InChi: | InChI=1S/C28H30N6O3/c29-13-10-28(34-18-23(25(30)36)26(32-34)31-27(37)21-7-8-21)11-14-33(15-12-28)17-19-6-9-22(24(35)16-19)20-4-2-1-3-5-20/h1-6,9,16,18,21,35H,7-8,10-12,14-15,17H2,(H2,30,36)(H,31,32,37) | | Definition date: | 2019-05-21 | | Last modified: | 2020-07-03 | | Release date: | 2020-07-08 | | Identifier: | 1-[4-(cyanomethyl)-1-[(3-oxidanyl-4-phenyl-phenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide |
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 | | KHE | | Name: | 1-[(3~{R},4~{R})-4-(cyanomethyl)-3-fluoranyl-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide | | Formula: | C28 H29 F N6 O2 | | SMILES: | NC(=O)c1cn(nc1NC(=O)C2CC2)[C]3(CCN(C[CH]3F)Cc4ccc(cc4)c5ccccc5)CC#N | | InChi: | InChI=1S/C28H29FN6O2/c29-24-18-34(16-19-6-8-21(9-7-19)20-4-2-1-3-5-20)15-13-28(24,12-14-30)35-17-23(25(31)36)26(33-35)32-27(37)22-10-11-22/h1-9,17,22,24H,10-13,15-16,18H2,(H2,31,36)(H,32,33,37)/t24-,28+/m1/s1 | | Definition date: | 2019-05-21 | | Last modified: | 2020-07-03 | | Release date: | 2020-07-08 | | Identifier: | 1-[(3~{R},4~{R})-4-(cyanomethyl)-3-fluoranyl-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide |
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 | | KHH | | Name: | methyl ~{N}-[4-aminocarbonyl-1-[(3~{R},4~{R})-4-(cyanomethyl)-1-[(4-ethenyl-2-fluoranyl-5-oxidanyl-phenyl)methyl]-3-fluoranyl-piperidin-4-yl]pyrazol-3-yl]carbamate | | Formula: | C22 H24 F2 N6 O4 | | SMILES: | COC(=O)Nc1nn(cc1C(N)=O)[C]2(CCN(C[CH]2F)Cc3cc(O)c(C=C)cc3F)CC#N | | InChi: | InChI=1S/C22H24F2N6O4/c1-3-13-8-16(23)14(9-17(13)31)10-29-7-5-22(4-6-25,18(24)12-29)30-11-15(19(26)32)20(28-30)27-21(33)34-2/h3,8-9,11,18,31H,1,4-5,7,10,12H2,2H3,(H2,26,32)(H,27,28,33)/t18-,22+/m1/s1 | | Definition date: | 2019-05-21 | | Last modified: | 2020-07-03 | | Release date: | 2020-07-08 | | Identifier: | methyl ~{N}-[4-aminocarbonyl-1-[(3~{R},4~{R})-4-(cyanomethyl)-1-[(4-ethenyl-2-fluoranyl-5-oxidanyl-phenyl)methyl]-3-fluoranyl-piperidin-4-yl]pyrazol-3-yl]carbamate |
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 | | KHK | | Name: | Ruthenium (bis-(phenanthroline)) (11-nitro-dipyridophenazine) | | Formula: | C42 H25 N9 O2 Ru | | SMILES: | [Ru].O=[N](=O)c1ccc2nc3c4cccnc4c5ncccc5c3nc2c1.c6cnc7c(c6)ccc8cccnc78.c9cnc%10c(c9)ccc%11cccnc%10%11 | | InChi: | InChI=1S/C18H9N5O2.2C12H8N2.Ru/c24-23(25)10-5-6-13-14(9-10)22-18-12-4-2-8-20-16(12)15-11(17(18)21-13)3-1-7-19-15 | | Definition date: | 2019-05-22 | | Last modified: | 2020-07-03 | | Release date: | 2020-07-08 |
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 | | KHN | | Name: | Ruthenium (bis-(phenanthroline)) (10-nitro-dipyridophenazine) | | Formula: | C42 H26 N9 O2 Ru | | SMILES: | [Ru].[OH-][N+](=O)c1cccc2nc3c4cccnc4c5ncccc5c3nc12.c6cnc7c(c6)ccc8cccnc78.c9cnc%10c(c9)ccc%11cccnc%10%11 | | InChi: | InChI=1S/C18H10N5O2.2C12H8N2.Ru/c24-23(25)13-7-1-6-12-18(13)22-17-11-5-3-9-20-15(11)14-10(16(17)21-12)4-2-8-19-14 | | Definition date: | 2019-05-22 | | Last modified: | 2020-07-03 | | Release date: | 2020-07-08 |
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 | | KHW | | Name: | [(1~{R})-1-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]butyl]diazane | | Formula: | C12 H18 N6 | | SMILES: | CCC[CH](NN)c1nnnn1Cc2ccccc2 | | InChi: | InChI=1S/C12H18N6/c1-2-6-11(14-13)12-15-16-17-18(12)9-10-7-4-3-5-8-10/h3-5,7-8,11,14H,2,6,9,13H2,1H3/t11-/m1/s1 | | Definition date: | 2019-05-22 | | Last modified: | 2020-07-03 | | Release date: | 2020-07-08 | | Identifier: | [(1~{R})-1-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]butyl]diazane |
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 | | KHZ | | Name: | 1~{H}-1,2,3,4-tetrazol-5-ylmethyldiazane | | Formula: | C2 H6 N6 | | SMILES: | NNCc1[nH]nnn1 | | InChi: | InChI=1S/C2H6N6/c3-4-1-2-5-7-8-6-2/h4H,1,3H2,(H,5,6,7,8) | | Definition date: | 2019-05-22 | | Last modified: | 2020-07-03 | | Release date: | 2020-07-08 | | Identifier: | 1~{H}-1,2,3,4-tetrazol-5-ylmethyldiazane |
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 | | KOE | | Name: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3-bromophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol | | Formula: | C20 H17 Br F3 N3 O4 S | | SMILES: | OC[CH]1O[CH](Sc2cccc(Br)c2)[CH](O)[CH]([CH]1O)n3cc(nn3)c4cc(F)c(F)c(F)c4 | | InChi: | InChI=1S/C20H17BrF3N3O4S/c21-10-2-1-3-11(6-10)32-20-19(30)17(18(29)15(8-28)31-20)27-7-14(25-26-27)9-4-12(22)16(24)13(23)5-9/h1-7,15,17-20,28-30H,8H2/t15-,17+,18+,19-,20-/m1/s1 | | Definition date: | 2019-06-13 | | Last modified: | 2020-07-03 | | Release date: | 2020-07-08 | | Identifier: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3-bromophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol |
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 | | KON | | Name: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(3-iodanylphenyl)sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol | | Formula: | C20 H17 F3 I N3 O4 S | | SMILES: | OC[CH]1O[CH](Sc2cccc(I)c2)[CH](O)[CH]([CH]1O)n3cc(nn3)c4cc(F)c(F)c(F)c4 | | InChi: | InChI=1S/C20H17F3IN3O4S/c21-12-4-9(5-13(22)16(12)23)14-7-27(26-25-14)17-18(29)15(8-28)31-20(19(17)30)32-11-3-1-2-10(24)6-11/h1-7,15,17-20,28-30H,8H2/t15-,17+,18+,19-,20-/m1/s1 | | Definition date: | 2019-06-13 | | Last modified: | 2020-07-03 | | Release date: | 2020-07-08 | | Identifier: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(3-iodanylphenyl)sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol |
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 | | KOQ | | Name: | (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol | | Formula: | C20 H26 F N3 O9 S | | SMILES: | OC[CH]1O[CH](S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4ccc(F)cc4)[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C20H26FN3O9S/c21-9-3-1-8(2-4-9)10-5-24(23-22-10)13-14(27)11(6-25)32-19(16(13)29)34-20-18(31)17(30)15(28)12(7-26)33-20/h1-5,11-20,25-31H,6-7H2/t11-,12-,13+,14+,15-,16-,17+,18-,19+,20+/m1/s1 | | Definition date: | 2019-06-13 | | Last modified: | 2020-07-03 | | Release date: | 2020-07-08 | | Identifier: | (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol |
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 | | KOW | | Name: | (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol | | Formula: | C20 H26 F N3 O9 S | | SMILES: | OC[CH]1O[CH](S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4cccc(F)c4)[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C20H26FN3O9S/c21-9-3-1-2-8(4-9)10-5-24(23-22-10)13-14(27)11(6-25)32-19(16(13)29)34-20-18(31)17(30)15(28)12(7-26)33-20/h1-5,11-20,25-31H,6-7H2/t11-,12-,13+,14+,15-,16-,17+,18-,19+,20+/m1/s1 | | Definition date: | 2019-06-13 | | Last modified: | 2020-07-03 | | Release date: | 2020-07-08 | | Identifier: | (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol |
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 | | KOZ | | Name: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3-chlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol | | Formula: | C20 H17 Cl F3 N3 O4 S | | SMILES: | OC[CH]1O[CH](Sc2cccc(Cl)c2)[CH](O)[CH]([CH]1O)n3cc(nn3)c4cc(F)c(F)c(F)c4 | | InChi: | InChI=1S/C20H17ClF3N3O4S/c21-10-2-1-3-11(6-10)32-20-19(30)17(18(29)15(8-28)31-20)27-7-14(25-26-27)9-4-12(22)16(24)13(23)5-9/h1-7,15,17-20,28-30H,8H2/t15-,17+,18+,19-,20-/m1/s1 | | Definition date: | 2019-06-13 | | Last modified: | 2020-07-03 | | Release date: | 2020-07-08 | | Identifier: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3-chlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol |
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 | | KP5 | | Name: | (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(2-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol | | Formula: | C20 H26 F N3 O9 S | | SMILES: | OC[CH]1O[CH](S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4ccccc4F)[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C20H26FN3O9S/c21-9-4-2-1-3-8(9)10-5-24(23-22-10)13-14(27)11(6-25)32-19(16(13)29)34-20-18(31)17(30)15(28)12(7-26)33-20/h1-5,11-20,25-31H,6-7H2/t11-,12-,13+,14+,15-,16-,17+,18-,19+,20+/m1/s1 | | Definition date: | 2019-06-13 | | Last modified: | 2020-07-03 | | Release date: | 2020-07-08 | | Identifier: | (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(2-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol |
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 | | KP8 | | Name: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-phenylsulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol | | Formula: | C20 H18 F3 N3 O4 S | | SMILES: | OC[CH]1O[CH](Sc2ccccc2)[CH](O)[CH]([CH]1O)n3cc(nn3)c4cc(F)c(F)c(F)c4 | | InChi: | InChI=1S/C20H18F3N3O4S/c21-12-6-10(7-13(22)16(12)23)14-8-26(25-24-14)17-18(28)15(9-27)30-20(19(17)29)31-11-4-2-1-3-5-11/h1-8,15,17-20,27-29H,9H2/t15-,17+,18+,19-,20-/m1/s1 | | Definition date: | 2019-06-13 | | Last modified: | 2020-07-03 | | Release date: | 2020-07-08 | | Identifier: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-phenylsulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol |
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 | | KPB | | Name: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3-fluorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol | | Formula: | C20 H17 F4 N3 O4 S | | SMILES: | OC[CH]1O[CH](Sc2cccc(F)c2)[CH](O)[CH]([CH]1O)n3cc(nn3)c4cc(F)c(F)c(F)c4 | | InChi: | InChI=1S/C20H17F4N3O4S/c21-10-2-1-3-11(6-10)32-20-19(30)17(18(29)15(8-28)31-20)27-7-14(25-26-27)9-4-12(22)16(24)13(23)5-9/h1-7,15,17-20,28-30H,8H2/t15-,17+,18+,19-,20-/m1/s1 | | Definition date: | 2019-06-13 | | Last modified: | 2020-07-03 | | Release date: | 2020-07-08 | | Identifier: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3-fluorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol |
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 | | FN3 | | Name: | [(1S)-3-methyl-1-[[(2S)-3-phenyl-2-(pyrazin-2-ylcarbonylamino)propanoyl]amino]butyl]boronic acid | | Formula: | C19 H25 B N4 O4 | | SMILES: | CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)c2cnccn2)B(O)O | | InChi: | InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17+/m0/s1 | | Definition date: | 2020-06-04 | | Last modified: | 2020-07-03 | | Release date: | 2020-07-08 | | Identifier: | [(1~{S})-3-methyl-1-[[(2~{S})-3-phenyl-2-(pyrazin-2-ylcarbonylamino)propanoyl]amino]butyl]boronic acid |
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 | | D6R | | Name: | 6,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one | | Formula: | C18 H15 N O4 | | SMILES: | COc1ccc2Oc3c(OC)ccc4C(=O)N(C)C(=Cc2c1)c34 | | InChi: | InChI=1S/C18H15NO4/c1-19-13-9-10-8-11(21-2)4-6-14(10)23-17-15(22-3)7-5-12(16(13)17)18(19)20/h4-9H,1-3H3 | | Definition date: | 2019-07-12 | | Last modified: | 2020-07-03 | | Release date: | 2020-07-08 |
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 | | D6U | | Name: | 16-methoxy-11-methyl-6-[(pyridin-2-yl)methoxy]-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one | | Formula: | C23 H18 N2 O4 | | SMILES: | COc1ccc2C(=O)N(C)C3=Cc4cc(OCc5ccccn5)ccc4Oc1c23 | | InChi: | InChI=1S/C23H18N2O4/c1-25-18-12-14-11-16(28-13-15-5-3-4-10-24-15)6-8-19(14)29-22-20(27-2)9-7-17(21(18)22)23(25)26/h3-12H,13H2,1-2H3 | | Definition date: | 2019-07-12 | | Last modified: | 2020-07-03 | | Release date: | 2020-07-08 |
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 | | D7F | | Name: | 6-[2-(diethylamino)ethoxy]-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one | | Formula: | C23 H26 N2 O4 | | SMILES: | CCN(CC)CCOc1ccc2Oc3c(OC)ccc4C(=O)N(C)C(=Cc2c1)c34 | | InChi: | InChI=1S/C23H26N2O4/c1-5-25(6-2)11-12-28-16-7-9-19-15(13-16)14-18-21-17(23(26)24(18)3)8-10-20(27-4)22(21)29-19/h7-10,13-14H,5-6,11-12H2,1-4H3 | | Definition date: | 2019-07-12 | | Last modified: | 2020-07-03 | | Release date: | 2020-07-08 |
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 | | D7L | | Name: | 6-hydroxy-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3,5,7,9,13(17),14-heptaen-12-one | | Formula: | C17 H13 N O4 | | SMILES: | COc1ccc2C(=O)N(C)C3=Cc4cc(O)ccc4Oc1c23 | | InChi: | InChI=1S/C17H13NO4/c1-18-12-8-9-7-10(19)3-5-13(9)22-16-14(21-2)6-4-11(15(12)16)17(18)20/h3-8,19H,1-2H3 | | Definition date: | 2019-07-12 | | Last modified: | 2020-07-03 | | Release date: | 2020-07-08 |
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 | | D7R | | Name: | 6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one | | Formula: | C20 H16 F2 N4 O4 S | | SMILES: | Cc1cc(n2C=NNC(=O)c12)c3cc(C[S](C)(=O)=O)cnc3Oc4ccc(F)cc4F | | InChi: | InChI=1S/C20H16F2N4O4S/c1-11-5-16(26-10-24-25-19(27)18(11)26)14-6-12(9-31(2,28)29)8-23-20(14)30-17-4-3-13(21)7-15(17)22/h3-8,10H,9H2,1-2H3,(H,25,27) | | Definition date: | 2019-07-12 | | Last modified: | 2020-07-03 | | Release date: | 2020-07-08 | | Identifier: | 6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2~{H}-pyrrolo[1,2-d][1,2,4]triazin-1-one |
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 | | D7U | | Name: | 6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one | | Formula: | C21 H17 F2 N3 O4 S | | SMILES: | Cc1cc(n2C=CNC(=O)c12)c3cc(C[S](C)(=O)=O)cnc3Oc4ccc(F)cc4F | | InChi: | InChI=1S/C21H17F2N3O4S/c1-12-7-17(26-6-5-24-20(27)19(12)26)15-8-13(11-31(2,28)29)10-25-21(15)30-18-4-3-14(22)9-16(18)23/h3-10H,11H2,1-2H3,(H,24,27) | | Definition date: | 2019-07-12 | | Last modified: | 2020-07-03 | | Release date: | 2020-07-08 | | Identifier: | 6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2~{H}-pyrrolo[1,2-a]pyrazin-1-one |
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