![KW3 KW3](https://data.pdbj.org/pdbjplus/data/cc/svg/KW3.svg) | KW3 | Name: | (2~{S})-2-azanyl-3-[[(2~{R})-1-ethoxy-3-[3-[2-[(3-phenoxyphenyl)methoxy]phenyl]propanoyloxy]propan-2-yl]oxy-oxidanyl-phosphoryl]oxy-propanoic acid | Formula: | C30 H36 N O11 P | SMILES: | CCOC[CH](COC(=O)CCc1ccccc1OCc2cccc(Oc3ccccc3)c2)O[P](O)(=O)OC[CH](N)C(O)=O | InChi: | InChI=1S/C30H36NO11P/c1-2-37-19-26(42-43(35,36)40-21-27(31)30(33)34)20-39-29(32)16-15-23-10-6-7-14-28(23)38-18-22-9-8-13-25(17-22)41-24-11-4-3-5-12-24/h3-14,17,26-27H,2,15-16,18-21,31H2,1H3,(H,33,34)(H,35,36)/t26-,27+/m1/s1 | Definition date: | 2022-10-21 | Last modified: | 2023-12-22 | Release date: | 2023-12-27 | Identifier: | (2~{S})-2-azanyl-3-[[(2~{R})-1-ethoxy-3-[3-[2-[(3-phenoxyphenyl)methoxy]phenyl]propanoyloxy]propan-2-yl]oxy-oxidanyl-phosphoryl]oxy-propanoic acid |
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![W6B W6B](https://data.pdbj.org/pdbjplus/data/cc/svg/W6B.svg) | W6B | Name: | 2-[(3-chloranyl-2-phenyl-phenyl)amino]-5-fluoranyl-benzoic acid | Formula: | C19 H13 Cl F N O2 | SMILES: | OC(=O)c1cc(F)ccc1Nc2cccc(Cl)c2c3ccccc3 | InChi: | InChI=1S/C19H13ClFNO2/c20-15-7-4-8-17(18(15)12-5-2-1-3-6-12)22-16-10-9-13(21)11-14(16)19(23)24/h1-11,22H,(H,23,24) | Definition date: | 2023-09-20 | Last modified: | 2023-12-22 | Release date: | 2023-12-27 | Identifier: | 2-[(3-chloranyl-2-phenyl-phenyl)amino]-5-fluoranyl-benzoic acid |
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![W6K W6K](https://data.pdbj.org/pdbjplus/data/cc/svg/W6K.svg) | W6K | Name: | 2-[(3-chloranyl-2-phenyl-phenyl)amino]-6-methyl-benzoic acid | Formula: | C20 H16 Cl N O2 | SMILES: | Cc1cccc(Nc2cccc(Cl)c2c3ccccc3)c1C(O)=O | InChi: | InChI=1S/C20H16ClNO2/c1-13-7-5-11-16(18(13)20(23)24)22-17-12-6-10-15(21)19(17)14-8-3-2-4-9-14/h2-12,22H,1H3,(H,23,24) | Definition date: | 2023-09-20 | Last modified: | 2023-12-22 | Release date: | 2023-12-27 | Identifier: | 2-[(3-chloranyl-2-phenyl-phenyl)amino]-6-methyl-benzoic acid |
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![WEZ WEZ](https://data.pdbj.org/pdbjplus/data/cc/svg/WEZ.svg) | WEZ | Name: | N-[(4S)-4-amino-5-oxopentyl]-N'-[(1S)-1-hydroxy-2-oxoethyl]guanidine | Formula: | C8 H16 N4 O3 | SMILES: | O=CC(N)CCCNC(=N)NC(O)C=O | InChi: | InChI=1S/C8H16N4O3/c9-6(4-13)2-1-3-11-8(10)12-7(15)5-14/h4-7,15H,1-3,9H2,(H3,10,11,12)/t6-,7-/m0/s1 | Definition date: | 2022-09-06 | Last modified: | 2023-12-22 | Release date: | 2023-12-27 | Identifier: | N-[(4S)-4-amino-5-oxopentyl]-N'-[(1S)-1-hydroxy-2-oxoethyl]guanidine |
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![X0F X0F](https://data.pdbj.org/pdbjplus/data/cc/svg/X0F.svg) | X0F | Name: | 2-oxo-2-hydroadenosine 5'-(tetrahydrogen triphosphate) | Formula: | C10 H16 N5 O14 P3 | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC3=C(N)NC(=O)N=C32)C(O)C1O | InChi: | InChI=1S/C10H16N5O14P3/c11-7-4-8(14-10(18)13-7)15(2-12-4)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 | Definition date: | 2023-05-25 | Last modified: | 2023-12-22 | Release date: | 2023-12-27 | Identifier: | 2-oxo-2-hydroadenosine 5'-(tetrahydrogen triphosphate) |
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![X0O X0O](https://data.pdbj.org/pdbjplus/data/cc/svg/X0O.svg) | X0O | Name: | [[(2~{R},3~{S},4~{R},5~{S})-5-(4-azanyl-1-methyl-2-oxidanylidene-pyrimidin-5-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | Formula: | C10 H18 N3 O14 P3 | SMILES: | CN1C=C([CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O)C(=NC1=O)N | InChi: | InChI=1S/C10H18N3O14P3/c1-13-2-4(9(11)12-10(13)16)8-7(15)6(14)5(25-8)3-24-29(20,21)27-30(22,23)26-28(17,18)19/h2,5-8,14-15H,3H2,1H3,(H,20,21)(H,22,23)(H2,11,12,16)(H2,17,18,19)/t5-,6-,7-,8+/m1/s1 | Definition date: | 2023-05-25 | Last modified: | 2023-12-22 | Release date: | 2023-12-27 | Identifier: | [[(2~{R},3~{S},4~{R},5~{S})-5-(4-azanyl-1-methyl-2-oxidanylidene-pyrimidin-5-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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![I07 I07](https://data.pdbj.org/pdbjplus/data/cc/svg/I07.svg) | I07 | Name: | {6-[(3-methoxyphenyl)methyl]-4-methyl-5-oxo-5,6-dihydro-4H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-2-yl}(methyl)sulfaniumolate | Formula: | C18 H17 N3 O3 S2 | SMILES: | COc1cccc(c1)CN1N=Cc2c(C1=O)n(C)c1cc(sc12)[S+]([O-])C | InChi: | InChI=1S/C18H17N3O3S2/c1-20-14-8-15(26(3)23)25-17(14)13-9-19-21(18(22)16(13)20)10-11-5-4-6-12(7-11)24-2/h4-9H,10H2,1-3H3/t26-/m1/s1 | Definition date: | 2023-07-24 | Last modified: | 2023-12-22 | Release date: | 2023-12-27 | Identifier: | {6-[(3-methoxyphenyl)methyl]-4-methyl-5-oxo-5,6-dihydro-4H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-2-yl}(methyl)sulfaniumolate |
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![I0R I0R](https://data.pdbj.org/pdbjplus/data/cc/svg/I0R.svg) | I0R | Name: | 6-[(4-hydroxyphenyl)methyl]-2,4-dimethyl-4,6-dihydro-5H-[1,3]thiazolo[5',4':4,5]pyrrolo[2,3-d]pyridazin-5-one | Formula: | C16 H14 N4 O2 S | SMILES: | Oc1ccc(cc1)CN1N=Cc2c(C1=O)n(C)c1nc(C)sc12 | InChi: | InChI=1S/C16H14N4O2S/c1-9-18-15-14(23-9)12-7-17-20(16(22)13(12)19(15)2)8-10-3-5-11(21)6-4-10/h3-7,21H,8H2,1-2H3 | Definition date: | 2023-07-24 | Last modified: | 2023-12-22 | Release date: | 2023-12-27 | Identifier: | 6-[(4-hydroxyphenyl)methyl]-2,4-dimethyl-4,6-dihydro-5H-[1,3]thiazolo[5',4':4,5]pyrrolo[2,3-d]pyridazin-5-one |
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![Y4O Y4O](https://data.pdbj.org/pdbjplus/data/cc/svg/Y4O.svg) | Y4O | Name: | 3-[4-(dimethylamino)butanoylamino]-~{N}-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide | Formula: | C29 H31 N7 O2 | SMILES: | CN(C)CCCC(=O)Nc1cccc(c1)C(=O)Nc2ccc(Nc3nccc(n3)c4cccnc4)c(C)c2 | InChi: | InChI=1S/C29H31N7O2/c1-20-17-24(11-12-25(20)34-29-31-15-13-26(35-29)22-8-5-14-30-19-22)33-28(38)21-7-4-9-23(18-21)32-27(37)10-6-16-36(2)3/h4-5,7-9,11-15,17-19H,6,10,16H2,1-3H3,(H,32,37)(H,33,38)(H,31,34,35) | Definition date: | 2023-11-20 | Last modified: | 2023-12-22 | Release date: | 2023-12-27 | Identifier: | 3-[4-(dimethylamino)butanoylamino]-~{N}-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide |
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![A1LU6 A1LU6](https://data.pdbj.org/pdbjplus/data/cc/svg/A1LU6.svg) | A1LU6 | Name: | 5-(3-azanyl-1~{H}-indazol-6-yl)-1-[(3-chlorophenyl)methyl]pyridin-2-one | Formula: | C19 H15 Cl N4 O | SMILES: | Nc1n[nH]c2cc(ccc12)C3=CN(Cc4cccc(Cl)c4)C(=O)C=C3 | InChi: | InChI=1S/C19H15ClN4O/c20-15-3-1-2-12(8-15)10-24-11-14(5-7-18(24)25)13-4-6-16-17(9-13)22-23-19(16)21/h1-9,11H,10H2,(H3,21,22,23) | Definition date: | 2023-12-15 | Last modified: | 2023-12-22 | Release date: | 2023-12-27 | Identifier: | 5-(3-azanyl-1~{H}-indazol-6-yl)-1-[(3-chlorophenyl)methyl]pyridin-2-one |
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![OQK OQK](https://data.pdbj.org/pdbjplus/data/cc/svg/OQK.svg) | OQK | Name: | 2-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid | Formula: | C17 H11 F3 N4 O2 S | SMILES: | OC(=O)c1ccccc1C=Nn2c(S)nnc2c3ccc(cc3)C(F)(F)F | InChi: | InChI=1S/C17H11F3N4O2S/c18-17(19,20)12-7-5-10(6-8-12)14-22-23-16(27)24(14)21-9-11-3-1-2-4-13(11)15(25)26/h1-9H,(H,23,27)(H,25,26)/b21-9+ | Definition date: | 2022-09-18 | Last modified: | 2023-12-22 | Release date: | 2023-12-27 | Identifier: | 2-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid |
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![OQU OQU](https://data.pdbj.org/pdbjplus/data/cc/svg/OQU.svg) | OQU | Name: | 4-[(~{E})-(3-bromophenyl)methylideneamino]-5-(trifluoromethyl)-1,2,4-triazole-3-thiol | Formula: | C10 H6 Br F3 N4 S | SMILES: | FC(F)(F)c1nnc(S)n1N=Cc2cccc(Br)c2 | InChi: | InChI=1S/C10H6BrF3N4S/c11-7-3-1-2-6(4-7)5-15-18-8(10(12,13)14)16-17-9(18)19/h1-5H,(H,17,19)/b15-5+ | Definition date: | 2022-09-18 | Last modified: | 2023-12-22 | Release date: | 2023-12-27 | Identifier: | 4-[(~{E})-(3-bromophenyl)methylideneamino]-5-(trifluoromethyl)-1,2,4-triazole-3-thiol |
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![ORL ORL](https://data.pdbj.org/pdbjplus/data/cc/svg/ORL.svg) | ORL | Name: | 3-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid | Formula: | C17 H11 F3 N4 O2 S | SMILES: | OC(=O)c1cccc(C=Nn2c(S)nnc2c3ccc(cc3)C(F)(F)F)c1 | InChi: | InChI=1S/C17H11F3N4O2S/c18-17(19,20)13-6-4-11(5-7-13)14-22-23-16(27)24(14)21-9-10-2-1-3-12(8-10)15(25)26/h1-9H,(H,23,27)(H,25,26)/b21-9+ | Definition date: | 2022-09-18 | Last modified: | 2023-12-22 | Release date: | 2023-12-27 | Identifier: | 3-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid |
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![MXV MXV](https://data.pdbj.org/pdbjplus/data/cc/svg/MXV.svg) | MXV | Name: | 2-(1-methylindol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1~{H}-imidazo[4,5-c]pyridine | Formula: | C24 H22 N4 O3 | SMILES: | COc1cc(cc(OC)c1OC)c2nccc3[nH]c(nc23)c4cccc5n(C)ccc45 | InChi: | InChI=1S/C24H22N4O3/c1-28-11-9-15-16(6-5-7-18(15)28)24-26-17-8-10-25-21(22(17)27-24)14-12-19(29-2)23(31-4)20(13-14)30-3/h5-13H,1-4H3,(H,26,27) | Definition date: | 2023-01-06 | Last modified: | 2023-12-22 | Release date: | 2023-12-27 | Identifier: | 2-(1-methylindol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1~{H}-imidazo[4,5-c]pyridine |
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![N59 N59](https://data.pdbj.org/pdbjplus/data/cc/svg/N59.svg) | N59 | Name: | 4-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(3-fluorophenyl)sulfonylamino]benzoic acid | Formula: | C23 H21 Cl F N3 O4 S | SMILES: | OC(=O)c1ccc(N2CCN(CC2)c3cccc(Cl)c3)c(N[S](=O)(=O)c4cccc(F)c4)c1 | InChi: | InChI=1S/C23H21ClFN3O4S/c24-17-3-1-5-19(14-17)27-9-11-28(12-10-27)22-8-7-16(23(29)30)13-21(22)26-33(31,32)20-6-2-4-18(25)15-20/h1-8,13-15,26H,9-12H2,(H,29,30) | Definition date: | 2023-01-11 | Last modified: | 2023-12-22 | Release date: | 2023-12-27 | Identifier: | 4-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(3-fluorophenyl)sulfonylamino]benzoic acid |
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![N5X N5X](https://data.pdbj.org/pdbjplus/data/cc/svg/N5X.svg) | N5X | Name: | 3-[(4-chlorophenyl)carbonylamino]-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoic acid | Formula: | C26 H26 Cl N3 O3 | SMILES: | Cc1ccc(C)c(c1)N2CCN(CC2)c3ccc(cc3NC(=O)c4ccc(Cl)cc4)C(O)=O | InChi: | InChI=1S/C26H26ClN3O3/c1-17-3-4-18(2)24(15-17)30-13-11-29(12-14-30)23-10-7-20(26(32)33)16-22(23)28-25(31)19-5-8-21(27)9-6-19/h3-10,15-16H,11-14H2,1-2H3,(H,28,31)(H,32,33) | Definition date: | 2023-01-11 | Last modified: | 2023-12-22 | Release date: | 2023-12-27 | Identifier: | 3-[(4-chlorophenyl)carbonylamino]-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoic acid |
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![K8C K8C](https://data.pdbj.org/pdbjplus/data/cc/svg/K8C.svg) | K8C | Name: | 2-methylsulfanylpyrimidine-4-carbaldehyde | Formula: | C6 H6 N2 O S | SMILES: | CSc1nccc(C=O)n1 | InChi: | InChI=1S/C6H6N2OS/c1-10-6-7-3-2-5(4-9)8-6/h2-4H,1H3 | Definition date: | 2022-09-12 | Last modified: | 2023-12-22 | Release date: | 2023-12-27 | Identifier: | 2-methylsulfanylpyrimidine-4-carbaldehyde |
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![R7R R7R](https://data.pdbj.org/pdbjplus/data/cc/svg/R7R.svg) | R7R | Name: | sulfoquinovose | Formula: | C6 H12 O8 S | SMILES: | O[CH]1O[CH](C[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C6H12O8S/c7-3-2(1-15(11,12)13)14-6(10)5(9)4(3)8/h2-10H,1H2,(H,11,12,13)/t2-,3-,4+,5-,6+/m1/s1 | Synonyms: | [(2~{S},3~{S},4~{S},5~{R},6~{S})-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methanesulfonic acid | Definition date: | 2023-08-30 | Last modified: | 2023-12-22 | Release date: | 2023-12-27 | Identifier: | [(2~{S},3~{S},4~{S},5~{R},6~{S})-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methanesulfonic acid |
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![98A 98A](https://data.pdbj.org/pdbjplus/data/cc/svg/98A.svg) | 98A | Name: | 6-(1-methylpyrazol-4-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazine | Formula: | C18 H19 N9 | SMILES: | Cn1cc(cn1)c2cn3ncnc(N4CCN(CC4)c5ncccn5)c3c2 | InChi: | InChI=1S/C18H19N9/c1-24-11-15(10-22-24)14-9-16-17(21-13-23-27(16)12-14)25-5-7-26(8-6-25)18-19-3-2-4-20-18/h2-4,9-13H,5-8H2,1H3 | Definition date: | 2023-07-14 | Last modified: | 2023-12-22 | Release date: | 2023-12-27 | Identifier: | 6-(1-methylpyrazol-4-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazine |
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![IF9 IF9](https://data.pdbj.org/pdbjplus/data/cc/svg/IF9.svg) | IF9 | Name: | [[(2R,3R,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphoryl] dihydrogen phosphate | Formula: | C11 H16 F N5 O9 P2 S | SMILES: | C[C]1(F)[CH](O)[CH](CO[P](S)(=O)O[P](O)(O)=O)O[CH]1n2cnc3C(=O)NC(=Nc23)N | InChi: | InChI=1S/C11H16FN5O9P2S/c1-11(12)6(18)4(2-24-28(23,29)26-27(20,21)22)25-9(11)17-3-14-5-7(17)15-10(13)16-8(5)19/h3-4,6,9,18H,2H2,1H3,(H,23,29)(H2,20,21,22)(H3,13,15,16,19)/t4-,6-,9-,11-,28+/m1/s1 | Definition date: | 2023-07-28 | Last modified: | 2023-12-22 | Release date: | 2023-12-27 | Identifier: | [[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphoryl] dihydrogen phosphate |
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![9KI 9KI](https://data.pdbj.org/pdbjplus/data/cc/svg/9KI.svg) | 9KI | Name: | methyl ~{N}-[(1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethyl]carbamate | Formula: | C28 H29 F N10 O2 | SMILES: | COC(=O)N[C](C)(c1ccc(F)cc1)c2cnc(nc2)N3CCN(CC3)c4ncnn5cc(cc45)c6cnn(C)c6 | InChi: | InChI=1S/C28H29FN10O2/c1-28(35-27(40)41-3,21-4-6-23(29)7-5-21)22-14-30-26(31-15-22)38-10-8-37(9-11-38)25-24-12-19(17-39(24)34-18-32-25)20-13-33-36(2)16-20/h4-7,12-18H,8-11H2,1-3H3,(H,35,40)/t28-/m0/s1 | Definition date: | 2023-07-14 | Last modified: | 2023-12-22 | Release date: | 2023-12-27 | Identifier: | methyl ~{N}-[(1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethyl]carbamate |
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![9OO 9OO](https://data.pdbj.org/pdbjplus/data/cc/svg/9OO.svg) | 9OO | Name: | (1~{S})-~{N}-ethyl-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine | Formula: | C28 H31 F N10 | SMILES: | CCN[C](C)(c1ccc(F)cc1)c2cnc(nc2)N3CCN(CC3)c4ncnn5cc(cc45)c6cnn(C)c6 | InChi: | InChI=1S/C28H31FN10/c1-4-33-28(2,22-5-7-24(29)8-6-22)23-15-30-27(31-16-23)38-11-9-37(10-12-38)26-25-13-20(18-39(25)35-19-32-26)21-14-34-36(3)17-21/h5-8,13-19,33H,4,9-12H2,1-3H3/t28-/m0/s1 | Definition date: | 2023-07-14 | Last modified: | 2023-12-22 | Release date: | 2023-12-27 | Identifier: | (1~{S})-~{N}-ethyl-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine |
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![9VV 9VV](https://data.pdbj.org/pdbjplus/data/cc/svg/9VV.svg) | 9VV | Name: | ~{N}-[(1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethyl]ethanamide | Formula: | C28 H29 F N10 O | SMILES: | Cn1cc(cn1)c2cn3ncnc(N4CCN(CC4)c5ncc(cn5)[C](C)(NC(C)=O)c6ccc(F)cc6)c3c2 | InChi: | InChI=1S/C28H29FN10O/c1-19(40)35-28(2,22-4-6-24(29)7-5-22)23-14-30-27(31-15-23)38-10-8-37(9-11-38)26-25-12-20(17-39(25)34-18-32-26)21-13-33-36(3)16-21/h4-7,12-18H,8-11H2,1-3H3,(H,35,40)/t28-/m0/s1 | Definition date: | 2023-07-17 | Last modified: | 2023-12-22 | Release date: | 2023-12-27 | Identifier: | ~{N}-[(1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethyl]ethanamide |
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![9WU 9WU](https://data.pdbj.org/pdbjplus/data/cc/svg/9WU.svg) | 9WU | Name: | ~{N}-[(1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethyl]prop-2-enamide | Formula: | C29 H29 F N10 O | SMILES: | Cn1cc(cn1)c2cn3ncnc(N4CCN(CC4)c5ncc(cn5)[C](C)(NC(=O)C=C)c6ccc(F)cc6)c3c2 | InChi: | InChI=1S/C29H29FN10O/c1-4-26(41)36-29(2,22-5-7-24(30)8-6-22)23-15-31-28(32-16-23)39-11-9-38(10-12-39)27-25-13-20(18-40(25)35-19-33-27)21-14-34-37(3)17-21/h4-8,13-19H,1,9-12H2,2-3H3,(H,36,41)/t29-/m0/s1 | Definition date: | 2023-07-17 | Last modified: | 2023-12-22 | Release date: | 2023-12-27 | Identifier: | ~{N}-[(1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethyl]prop-2-enamide |
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![9XO 9XO](https://data.pdbj.org/pdbjplus/data/cc/svg/9XO.svg) | 9XO | Name: | (1~{S})-1-(4-fluorophenyl)-~{N},~{N}-dimethyl-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine | Formula: | C28 H31 F N10 | SMILES: | CN(C)[C](C)(c1ccc(F)cc1)c2cnc(nc2)N3CCN(CC3)c4ncnn5cc(cc45)c6cnn(C)c6 | InChi: | InChI=1S/C28H31FN10/c1-28(35(2)3,22-5-7-24(29)8-6-22)23-15-30-27(31-16-23)38-11-9-37(10-12-38)26-25-13-20(18-39(25)34-19-32-26)21-14-33-36(4)17-21/h5-8,13-19H,9-12H2,1-4H3/t28-/m0/s1 | Definition date: | 2023-07-17 | Last modified: | 2023-12-22 | Release date: | 2023-12-27 | Identifier: | (1~{S})-1-(4-fluorophenyl)-~{N},~{N}-dimethyl-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine |
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