 | | K48 | | Name: | 5-azanyl-4-phenyl-thiophene-2-carboximidamide | | Formula: | C11 H11 N3 S | | SMILES: | NC(=N)c1sc(N)c(c1)c2ccccc2 | | InChi: | InChI=1S/C11H11N3S/c12-10(13)9-6-8(11(14)15-9)7-4-2-1-3-5-7/h1-6H,14H2,(H3,12,13) | | Definition date: | 2019-04-19 | | Last modified: | 2020-06-12 | | Release date: | 2020-06-17 | | Identifier: | 5-azanyl-4-phenyl-thiophene-2-carboximidamide |
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 | | K5Z | | Name: | 5-(3-azanylpropyl)-4-phenyl-thiophene-2-carboximidamide | | Formula: | C14 H17 N3 S | | SMILES: | NCCCc1sc(cc1c2ccccc2)C(N)=N | | InChi: | InChI=1S/C14H17N3S/c15-8-4-7-12-11(9-13(18-12)14(16)17)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8,15H2,(H3,16,17) | | Definition date: | 2019-04-29 | | Last modified: | 2020-06-12 | | Release date: | 2020-06-17 | | Identifier: | 5-(3-azanylpropyl)-4-phenyl-thiophene-2-carboximidamide |
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 | | K6B | | Name: | 7-(6-azanylpyridin-2-yl)-1-benzothiophene-2-carboximidamide | | Formula: | C14 H12 N4 S | | SMILES: | NC(=N)c1sc2c(cccc2c3cccc(N)n3)c1 | | InChi: | InChI=1S/C14H12N4S/c15-12-6-2-5-10(18-12)9-4-1-3-8-7-11(14(16)17)19-13(8)9/h1-7H,(H2,15,18)(H3,16,17) | | Definition date: | 2019-04-30 | | Last modified: | 2020-06-12 | | Release date: | 2020-06-17 | | Identifier: | 7-(6-azanylpyridin-2-yl)-1-benzothiophene-2-carboximidamide |
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 | | K6N | | Name: | 7-(3-azanyl-4-methyl-pyrazol-1-yl)-1-benzothiophene-2-carboximidamide | | Formula: | C13 H13 N5 S | | SMILES: | Cc1cn(nc1N)c2cccc3cc(sc23)C(N)=N | | InChi: | InChI=1S/C13H13N5S/c1-7-6-18(17-13(7)16)9-4-2-3-8-5-10(12(14)15)19-11(8)9/h2-6H,1H3,(H3,14,15)(H2,16,17) | | Definition date: | 2019-04-30 | | Last modified: | 2020-06-12 | | Release date: | 2020-06-17 | | Identifier: | 7-(3-azanyl-4-methyl-pyrazol-1-yl)-1-benzothiophene-2-carboximidamide |
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 | | K6T | | Name: | 5-[(3-aminophenyl)amino]-4-phenyl-thiophene-2-carboximidamide | | Formula: | C17 H16 N4 S | | SMILES: | NC(=N)c1sc(Nc2cccc(N)c2)c(c1)c3ccccc3 | | InChi: | InChI=1S/C17H16N4S/c18-12-7-4-8-13(9-12)21-17-14(10-15(22-17)16(19)20)11-5-2-1-3-6-11/h1-10,21H,18H2,(H3,19,20) | | Definition date: | 2019-04-30 | | Last modified: | 2020-06-12 | | Release date: | 2020-06-17 | | Identifier: | 5-[(3-aminophenyl)amino]-4-phenyl-thiophene-2-carboximidamide |
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 | | K6W | | Name: | 4-phenyl-5-(phenylmethyl)thiophene-2-carboximidamide | | Formula: | C18 H16 N2 S | | SMILES: | NC(=N)c1sc(Cc2ccccc2)c(c1)c3ccccc3 | | InChi: | InChI=1S/C18H16N2S/c19-18(20)17-12-15(14-9-5-2-6-10-14)16(21-17)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H3,19,20) | | Definition date: | 2019-04-30 | | Last modified: | 2020-06-12 | | Release date: | 2020-06-17 | | Identifier: | 4-phenyl-5-(phenylmethyl)thiophene-2-carboximidamide |
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 | | K6Z | | Name: | 4-phenyl-5-phenylazanyl-thiophene-2-carboximidamide | | Formula: | C17 H15 N3 S | | SMILES: | NC(=N)c1sc(Nc2ccccc2)c(c1)c3ccccc3 | | InChi: | InChI=1S/C17H15N3S/c18-16(19)15-11-14(12-7-3-1-4-8-12)17(21-15)20-13-9-5-2-6-10-13/h1-11,20H,(H3,18,19) | | Definition date: | 2019-04-30 | | Last modified: | 2020-06-12 | | Release date: | 2020-06-17 | | Identifier: | 4-phenyl-5-phenylazanyl-thiophene-2-carboximidamide |
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 | | K7N | | Name: | 5-[1-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide | | Formula: | C16 H17 N5 S | | SMILES: | NCCn1cnc(c1)c2sc(cc2c3ccccc3)C(N)=N | | InChi: | InChI=1S/C16H17N5S/c17-6-7-21-9-13(20-10-21)15-12(8-14(22-15)16(18)19)11-4-2-1-3-5-11/h1-5,8-10H,6-7,17H2,(H3,18,19) | | Definition date: | 2019-05-01 | | Last modified: | 2020-06-12 | | Release date: | 2020-06-17 | | Identifier: | 5-[1-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide |
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 | | K7Q | | Name: | ~{N}-(2-azanylethyl)-2-carbamimidoyl-7-methoxy-1-benzothiophene-4-carboxamide | | Formula: | C13 H16 N4 O2 S | | SMILES: | COc1ccc(C(=O)NCCN)c2cc(sc12)C(N)=N | | InChi: | InChI=1S/C13H16N4O2S/c1-19-9-3-2-7(13(18)17-5-4-14)8-6-10(12(15)16)20-11(8)9/h2-3,6H,4-5,14H2,1H3,(H3,15,16)(H,17,18) | | Definition date: | 2019-05-01 | | Last modified: | 2020-06-12 | | Release date: | 2020-06-17 | | Identifier: | ~{N}-(2-azanylethyl)-2-carbamimidoyl-7-methoxy-1-benzothiophene-4-carboxamide |
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 | | K8W | | Name: | 7-(6-azanyl-5-methyl-pyridin-2-yl)-1-benzothiophene-2-carboximidamide | | Formula: | C15 H14 N4 S | | SMILES: | Cc1ccc(nc1N)c2cccc3cc(sc23)C(N)=N | | InChi: | InChI=1S/C15H14N4S/c1-8-5-6-11(19-15(8)18)10-4-2-3-9-7-12(14(16)17)20-13(9)10/h2-7H,1H3,(H3,16,17)(H2,18,19) | | Definition date: | 2019-05-06 | | Last modified: | 2020-06-12 | | Release date: | 2020-06-17 | | Identifier: | 7-(6-azanyl-5-methyl-pyridin-2-yl)-1-benzothiophene-2-carboximidamide |
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 | | K92 | | Name: | 5-[3-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide | | Formula: | C16 H17 N5 S | | SMILES: | NCCn1cncc1c2sc(cc2c3ccccc3)C(N)=N | | InChi: | InChI=1S/C16H17N5S/c17-6-7-21-10-20-9-13(21)15-12(8-14(22-15)16(18)19)11-4-2-1-3-5-11/h1-5,8-10H,6-7,17H2,(H3,18,19) | | Definition date: | 2019-05-06 | | Last modified: | 2020-06-12 | | Release date: | 2020-06-17 | | Identifier: | 5-[3-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide |
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 | | KDK | | Name: | 4-phenyl-5-(piperidin-4-ylmethyl)thiophene-2-carboximidamide | | Formula: | C17 H21 N3 S | | SMILES: | NC(=N)c1sc(CC2CCNCC2)c(c1)c3ccccc3 | | InChi: | InChI=1S/C17H21N3S/c18-17(19)16-11-14(13-4-2-1-3-5-13)15(21-16)10-12-6-8-20-9-7-12/h1-5,11-12,20H,6-10H2,(H3,18,19) | | Definition date: | 2019-05-14 | | Last modified: | 2020-06-12 | | Release date: | 2020-06-17 | | Identifier: | 4-phenyl-5-(piperidin-4-ylmethyl)thiophene-2-carboximidamide |
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 | | O7S | | Name: | (3R,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione | | Formula: | C30 H40 F N3 O6 | | SMILES: | C2(CC(Cc1nc(co1)C(N3C(C(OC(C(C)C)C(C=CC(=O)NCC=CC(=C2)C)C/C=C)=O)CCC3)=O)F)O | | InChi: | InChI=1S/C30H40FN3O6/c1-5-8-21-11-12-26(36)32-13-6-9-20(4)15-23(35)16-22(31)17-27-33-24(18-39-27)29(37)34-14-7-10-25(34)30(38)40-28(21)19(2)3/h5-6,9,11-12,15,18-19,21-23,25,28,35H,1,7-8,10,13-14,16-17H2,2-4H3,(H,32,36)/b9-6+,12-11+,20-15+/t21-,22-,23-,25-,28-/m1/s1 | | Definition date: | 2019-06-17 | | Last modified: | 2020-06-12 | | Release date: | 2020-06-17 | | Identifier: | (3R,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione |
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 | | O7V | | Name: | (2R)-2-[(3S,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-4,12-dimethyl-1,7,22-trioxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate | | Formula: | C38 H44 F N5 O8 | | SMILES: | C2(=CC(O)CC(Cc1nc(co1)C(N5C(C(OC(C(C=CC(NCC=C2)=O)C)C(C)COC(Nc3ncc4c(c3)cccc4)=O)=O)CCC5)=O)F)C | | InChi: | InChI=1S/C38H44FN5O8/c1-23-8-6-14-40-33(46)13-12-24(2)35(25(3)21-51-38(49)43-32-17-26-9-4-5-10-27(26)20-41-32)52-37(48)31-11-7-15-44(31)36(47)30-22-50-34(42-30)19-28(39)18-29(45)16-23/h4-6,8-10,12-13,16-17,20,22,24-25,28-29,31,35,45H,7,11,14-15,18-19,21H2,1-3H3,(H,40,46)(H,41,43,49)/b8-6+,13-12+,23-16+/t24-,25-,28-,29-,31-,35+/m1/s1 | | Definition date: | 2019-06-17 | | Last modified: | 2020-06-12 | | Release date: | 2020-06-17 | | Identifier: | (2R)-2-[(3S,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-4,12-dimethyl-1,7,22-trioxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate |
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 | | O7Y | | Name: | (2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate | | Formula: | C38 H43 N5 O9 | | SMILES: | C2(=CC(O)CC(Cc1nc(co1)C(N5C(C(OC(C(C=CC(NCC=C2)=O)C)C(C)COC(Nc3ncc4c(c3)cccc4)=O)=O)CCC5)=O)=O)C | | InChi: | InChI=1S/C38H43N5O9/c1-23-8-6-14-39-33(46)13-12-24(2)35(25(3)21-51-38(49)42-32-17-26-9-4-5-10-27(26)20-40-32)52-37(48)31-11-7-15-43(31)36(47)30-22-50-34(41-30)19-29(45)18-28(44)16-23/h4-6,8-10,12-13,16-17,20,22,24-25,28,31,35,44H,7,11,14-15,18-19,21H2,1-3H3,(H,39,46)(H,40,42,49)/b8-6+,13-12+,23-16+/t24-,25-,28-,31-,35+/m1/s1 | | Definition date: | 2019-06-17 | | Last modified: | 2020-06-12 | | Release date: | 2020-06-17 | | Identifier: | (2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate |
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 | | O8D | | Name: | (3R,4R,5E,10E,12E,14S,26aR)-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-8,9,14,15,24,25,26,26a-octahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone | | Formula: | C30 H39 N3 O7 | | SMILES: | C2(CC(Cc1nc(co1)C(N3C(C(OC(C(C)C)C(C=CC(=O)NCC=CC(=C2)C)C/C=C)=O)CCC3)=O)=O)O | | InChi: | InChI=1S/C30H39N3O7/c1-5-8-21-11-12-26(36)31-13-6-9-20(4)15-22(34)16-23(35)17-27-32-24(18-39-27)29(37)33-14-7-10-25(33)30(38)40-28(21)19(2)3/h5-6,9,11-12,15,18-19,21-22,25,28,34H,1,7-8,10,13-14,16-17H2,2-4H3,(H,31,36)/b9-6+,12-11+,20-15+/t21-,22-,25-,28-/m1/s1 | | Definition date: | 2019-06-18 | | Last modified: | 2020-06-12 | | Release date: | 2020-06-17 | | Identifier: | (3R,4R,5E,10E,12E,14S,26aR)-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-8,9,14,15,24,25,26,26a-octahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone |
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 | | O8J | | Name: | (3R,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-3-(propan-2-yl)-8,9,14,15,24,25,26,26a-octahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone | | Formula: | C28 H37 N3 O7 | | SMILES: | C2(=CC(CC(Cc1nc(co1)C(N3C(C(=O)OC(C(C=CC(NCC=C2)=O)C)C(C)C)CCC3)=O)=O)O)C | | InChi: | InChI=1S/C28H37N3O7/c1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h5,7,9-10,13,16-17,19-20,23,26,32H,6,8,11-12,14-15H2,1-4H3,(H,29,34)/b7-5+,10-9+,18-13+/t19-,20-,23-,26-/m1/s1 | | Definition date: | 2019-06-18 | | Last modified: | 2020-06-12 | | Release date: | 2020-06-17 | | Identifier: | (3R,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-3-(propan-2-yl)-8,9,14,15,24,25,26,26a-octahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone |
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 | | O8P | | Name: | (2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl (2-bromopyridin-4-yl)carbamate | | Formula: | C34 H40 Br N5 O9 | | SMILES: | C3(CC(Cc1nc(co1)C(N4C(C(=O)OC(C(COC(Nc2cc(Br)ncc2)=O)C)C(C=CC(NCC=CC(=C3)C)=O)C)CCC4)=O)=O)O | | InChi: | InChI=1S/C34H40BrN5O9/c1-20-6-4-11-37-29(43)9-8-21(2)31(22(3)18-48-34(46)38-23-10-12-36-28(35)15-23)49-33(45)27-7-5-13-40(27)32(44)26-19-47-30(39-26)17-25(42)16-24(41)14-20/h4,6,8-10,12,14-15,19,21-22,24,27,31,41H,5,7,11,13,16-18H2,1-3H3,(H,37,43)(H,36,38,46)/b6-4+,9-8+,20-14+/t21-,22-,24-,27-,31+/m1/s1 | | Definition date: | 2019-06-18 | | Last modified: | 2020-06-12 | | Release date: | 2020-06-17 | | Identifier: | (2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl (2-bromopyridin-4-yl)carbamate |
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 | | O8S | | Name: | (2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl [4-(trifluoromethyl)phenyl]carbamate | | Formula: | C36 H41 F3 N4 O9 | | SMILES: | C2(=CC(CC(Cc1nc(co1)C(N4C(C(=O)OC(C(C=CC(NCC=C2)=O)C)C(C)COC(=O)Nc3ccc(C(F)(F)F)cc3)CCC4)=O)=O)O)C | | InChi: | InChI=1S/C36H41F3N4O9/c1-21-6-4-14-40-30(46)13-8-22(2)32(23(3)19-51-35(49)41-25-11-9-24(10-12-25)36(37,38)39)52-34(48)29-7-5-15-43(29)33(47)28-20-50-31(42-28)18-27(45)17-26(44)16-21/h4,6,8-13,16,20,22-23,26,29,32,44H,5,7,14-15,17-19H2,1-3H3,(H,40,46)(H,41,49)/b6-4+,13-8+,21-16+/t22-,23-,26-,29-,32+/m1/s1 | | Definition date: | 2019-06-18 | | Last modified: | 2020-06-12 | | Release date: | 2020-06-17 | | Identifier: | (2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl [4-(trifluoromethyl)phenyl]carbamate |
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 | | O8V | | Name: | (2S)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate | | Formula: | C38 H43 N5 O9 | | SMILES: | C4(O)C=C(C=CCNC(C=CC(C)C(C(C)COC(=O)Nc1ncc2c(c1)cccc2)OC(C3CCCN3C(c5coc(CC(C4)=O)n5)=O)=O)=O)C | | InChi: | InChI=1S/C38H43N5O9/c1-23-8-6-14-39-33(46)13-12-24(2)35(25(3)21-51-38(49)42-32-17-26-9-4-5-10-27(26)20-40-32)52-37(48)31-11-7-15-43(31)36(47)30-22-50-34(41-30)19-29(45)18-28(44)16-23/h4-6,8-10,12-13,16-17,20,22,24-25,28,31,35,44H,7,11,14-15,18-19,21H2,1-3H3,(H,39,46)(H,40,42,49)/b8-6+,13-12+,23-16+/t24-,25+,28-,31-,35+/m1/s1 | | Definition date: | 2019-06-18 | | Last modified: | 2020-06-12 | | Release date: | 2020-06-17 | | Identifier: | (2S)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate |
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 | | OGE | | Name: | 1-(5-bromanylpyridin-2-yl)-3-(2-hydroxyethyl)urea | | Formula: | C8 H10 Br N3 O2 | | SMILES: | OCCNC(=O)Nc1ccc(Br)cn1 | | InChi: | InChI=1S/C8H10BrN3O2/c9-6-1-2-7(11-5-6)12-8(14)10-3-4-13/h1-2,5,13H,3-4H2,(H2,10,11,12,14) | | Definition date: | 2020-03-05 | | Last modified: | 2020-06-12 | | Release date: | 2020-06-17 | | Identifier: | 1-(5-bromanylpyridin-2-yl)-3-(2-hydroxyethyl)urea |
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 | | OWG | | Name: | 3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydrophthalazin-2(1H)-yl]propan-1-one | | Formula: | C33 H38 N6 O6 | | SMILES: | c5(c(CCC(N1C(c2c(CN1)cc(OC)c(OC)c2)c3ccc(cc3)OC)=O)cc(Cc4c(nc(N)nc4)N)cc5OC)OC | | InChi: | InChI=1S/C33H38N6O6/c1-41-24-9-6-20(7-10-24)30-25-16-27(43-3)26(42-2)15-22(25)18-37-39(30)29(40)11-8-21-12-19(14-28(44-4)31(21)45-5)13-23-17-36-33(35)38-32(23)34/h6-7,9-10,12,14-17,30,37H,8,11,13,18H2,1-5H3,(H4,34,35,36,38)/t30-/m0/s1 | | Definition date: | 2019-07-12 | | Last modified: | 2020-06-12 | | Release date: | 2020-06-17 | | Identifier: | 3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydrophthalazin-2(1H)-yl]propan-1-one |
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 | | OWJ | | Name: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(3,5-dimethylphenyl)phthalazin-2(1H)-yl]prop-2-en-1-one | | Formula: | C32 H32 N6 O3 | | SMILES: | COc4cc(cc([C@H]=[C@H]C(N1C(c2c(C=N1)cccc2)c3cc(cc(c3)C)C)=O)c4OC)Cc5cnc(N)nc5N | | InChi: | InChI=1S/C32H32N6O3/c1-19-11-20(2)13-24(12-19)29-26-8-6-5-7-23(26)18-36-38(29)28(39)10-9-22-14-21(16-27(40-3)30(22)41-4)15-25-17-35-32(34)37-31(25)33/h5-14,16-18,29H,15H2,1-4H3,(H4,33,34,35,37)/b10-9+/t29-/m0/s1 | | Definition date: | 2019-07-12 | | Last modified: | 2020-06-12 | | Release date: | 2020-06-17 | | Identifier: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(3,5-dimethylphenyl)phthalazin-2(1H)-yl]prop-2-en-1-one |
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 | | OWM | | Name: | (2E)-1-[(1R)-1-cyclopropyl-6,7-dimethoxyphthalazin-2(1H)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one | | Formula: | C29 H32 N6 O5 | | SMILES: | c1(nc(N)ncc1Cc2cc(c(c(c2)OC)OC)[C@H]=CC(=O)N3C(c4c(C=N3)cc(c(c4)OC)OC)C5CC5)N | | InChi: | InChI=1S/C29H32N6O5/c1-37-22-12-19-15-33-35(26(17-5-6-17)21(19)13-23(22)38-2)25(36)8-7-18-9-16(11-24(39-3)27(18)40-4)10-20-14-32-29(31)34-28(20)30/h7-9,11-15,17,26H,5-6,10H2,1-4H3,(H4,30,31,32,34)/b8-7+/t26-/m1/s1 | | Definition date: | 2019-07-12 | | Last modified: | 2020-06-12 | | Release date: | 2020-06-17 | | Identifier: | (2E)-1-[(1R)-1-cyclopropyl-6,7-dimethoxyphthalazin-2(1H)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one |
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 | | OWP | | Name: | (2E)-1-[(1S)-1-benzylphthalazin-2(1H)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one | | Formula: | C31 H32 N6 O3 | | SMILES: | c1(nc(N)ncc1Cc2cc(c(c(c2)OC)OC)C=CC(N3C(c4ccccc4CN3)Cc5ccccc5)=O)N | | InChi: | InChI=1S/C31H32N6O3/c1-39-27-17-21(15-24-18-34-31(33)36-30(24)32)14-22(29(27)40-2)12-13-28(38)37-26(16-20-8-4-3-5-9-20)25-11-7-6-10-23(25)19-35-37/h3-14,17-18,26,35H,15-16,19H2,1-2H3,(H4,32,33,34,36)/b13-12+/t26-/m0/s1 | | Definition date: | 2019-07-12 | | Last modified: | 2020-06-12 | | Release date: | 2020-06-17 | | Identifier: | (2E)-1-[(1S)-1-benzyl-3,4-dihydrophthalazin-2(1H)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one |
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