2-chloro-N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;2-chloro-N-[5-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-4-methylbenzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-3-methylpyridine-2-carboxamide;4-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;3-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
C119H115Cl2F8N31O7S7 — CID 158825655
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-chloro-N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;2-chloro-N-[5-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-4-methylbenzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-3-methylpyridine-2-carboxamide;4-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;3-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESCCc1cc(-c2cnc(NC(=O)c3c(F)cccc3F)s2)n(CC)n1.CCc1cc(-c2cnc(NC(=O)c3ccc(C)cc3)s2)n(CC)n1.CCc1cc(-c2cnc(NC(=O)c3ccccc3Cl)s2)n(CC)n1.CCc1cc(-c2cnc(NC(=O)c3ncccc3C)s2)n(CC)n1.Cc1ccc(C(=O)Nc2ncc(-c3cc(C(F)(F)F)nn3C(C)C)s2)cc1.Cc1cccnc1C(=O)Nc1ncc(-c2cc(C(F)(F)F)nn2C(C)C)s1.[C-]#[N+]c1cc(-c2cnc(NC(=O)c3ccccc3Cl)s2)n(C)n1
InChIInChI=1S/C18H17F3N4OS.C18H20N4OS.C17H17ClN4OS.C17H16F3N5OS.C17H16F2N4OS.C17H19N5OS.C15H10ClN5OS/c1-10(2)25-13(8-15(24-25)18(19,20)21)14-9-22-17(27-14)23-16(26)12-6-4-11(3)5-7-12;1-4-14-10-15(22(5-2)21-14)16-11-19-18(24-16)20-17(23)13-8-6-12(3)7-9-13;1-3-11-9-14(22(4-2)21-11)15-10-19-17(24-15)20-16(23)12-7-5-6-8-13(12)18;1-9(2)25-11(7-13(24-25)17(18,19)20)12-8-22-16(27-12)23-15(26)14-10(3)5-4-6-21-14;1-3-10-8-13(23(4-2)22-10)14-9-20-17(25-14)21-16(24)15-11(18)6-5-7-12(15)19;1-4-12-9-13(22(5-2)21-12)14-10-19-17(24-14)20-16(23)15-11(3)7-6-8-18-15;1-17-13-7-11(21(2)20-13)12-8-18-15(23-12)19-14(22)9-5-3-4-6-10(9)16/h4-10H,1-3H3,(H,22,23,26);6-11H,4-5H2,1-3H3,(H,19,20,23);5-10H,3-4H2,1-2H3,(H,19,20,23);4-9H,1-3H3,(H,22,23,26);5-9H,3-4H2,1-2H3,(H,20,21,24);6-10H,4-5H2,1-3H3,(H,19,20,23);3-8H,2H3,(H,18,19,22)
InChIKeyIWKRBZVGNWTBTK-UHFFFAOYSA-N
MW2538.80 g/mol
LogP30.04
Rot. Bonds31
About 2-chloro-N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;2-chloro-N-[5-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-4-methylbenzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-3-methylpyridine-2-carboxamide;4-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;3-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
2-chloro-N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;2-chloro-N-[5-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-4-methylbenzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-3-methylpyridine-2-carboxamide;4-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;3-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide (PubChem CID 158825655) has the molecular formula C119H115Cl2F8N31O7S7 and a molecular weight of 2538.80 g/mol. Its IUPAC name is 2-chloro-N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;2-chloro-N-[5-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-4-methylbenzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-3-methylpyridine-2-carboxamide;4-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;3-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide.
Molecular Properties
| Compound Name | 2-chloro-N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;2-chloro-N-[5-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-4-methylbenzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-3-methylpyridine-2-carboxamide;4-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;3-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide |
|---|---|
| PubChem CID | 158825655 |
| Molecular Formula | C119H115Cl2F8N31O7S7 |
| Molecular Weight | 2538.80 g/mol |
| Exact Mass | 2535.69 |
| IUPAC Name | 2-chloro-N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;2-chloro-N-[5-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-4-methylbenzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-3-methylpyridine-2-carboxamide;4-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;3-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide |
| SMILES | CCc1cc(-c2cnc(NC(=O)c3c(F)cccc3F)s2)n(CC)n1.CCc1cc(-c2cnc(NC(=O)c3ccc(C)cc3)s2)n(CC)n1.CCc1cc(-c2cnc(NC(=O)c3ccccc3Cl)s2)n(CC)n1.CCc1cc(-c2cnc(NC(=O)c3ncccc3C)s2)n(CC)n1.Cc1ccc(C(=O)Nc2ncc(-c3cc(C(F)(F)F)nn3C(C)C)s2)cc1.Cc1cccnc1C(=O)Nc1ncc(-c2cc(C(F)(F)F)nn2C(C)C)s1.[C-]#[N+]c1cc(-c2cnc(NC(=O)c3ccccc3Cl)s2)n(C)n1 |
| InChI | InChI=1S/C18H17F3N4OS.C18H20N4OS.C17H17ClN4OS.C17H16F3N5OS.C17H16F2N4OS.C17H19N5OS.C15H10ClN5OS/c1-10(2)25-13(8-15(24-25)18(19,20)21)14-9-22-17(27-14)23-16(26)12-6-4-11(3)5-7-12;1-4-14-10-15(22(5-2)21-14)16-11-19-18(24-16)20-17(23)13-8-6-12(3)7-9-13;1-3-11-9-14(22(4-2)21-11)15-10-19-17(24-15)20-16(23)12-7-5-6-8-13(12)18;1-9(2)25-11(7-13(24-25)17(18,19)20)12-8-22-16(27-12)23-15(26)14-10(3)5-4-6-21-14;1-3-10-8-13(23(4-2)22-10)14-9-20-17(25-14)21-16(24)15-11(18)6-5-7-12(15)19;1-4-12-9-13(22(5-2)21-12)14-10-19-17(24-14)20-16(23)15-11(3)7-6-8-18-15;1-17-13-7-11(21(2)20-13)12-8-18-15(23-12)19-14(22)9-5-3-4-6-10(9)16/h4-10H,1-3H3,(H,22,23,26);6-11H,4-5H2,1-3H3,(H,19,20,23);5-10H,3-4H2,1-2H3,(H,19,20,23);4-9H,1-3H3,(H,22,23,26);5-9H,3-4H2,1-2H3,(H,20,21,24);6-10H,4-5H2,1-3H3,(H,19,20,23);3-8H,2H3,(H,18,19,22) |
| InChIKey | IWKRBZVGNWTBTK-UHFFFAOYSA-N |
| XLogP | 30.04 |
| TPSA | 448.81 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 174 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2538.80 |
| LogP ≤ 5 | 30.04 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 37 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 2-chloro-N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;2-chloro-N-[5-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-4-methylbenzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-3-methylpyridine-2-carboxamide;4-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;3-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of 2-chloro-N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;2-chloro-N-[5-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-4-methylbenzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-3-methylpyridine-2-carboxamide;4-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;3-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide (CID 158825655) is 2-chloro-N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;2-chloro-N-[5-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-4-methylbenzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-3-methylpyridine-2-carboxamide;4-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;3-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 2-chloro-N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;2-chloro-N-[5-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-4-methylbenzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-3-methylpyridine-2-carboxamide;4-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;3-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 2-chloro-N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;2-chloro-N-[5-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-4-methylbenzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-3-methylpyridine-2-carboxamide;4-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;3-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide is CCc1cc(-c2cnc(NC(=O)c3c(F)cccc3F)s2)n(CC)n1.CCc1cc(-c2cnc(NC(=O)c3ccc(C)cc3)s2)n(CC)n1.CCc1cc(-c2cnc(NC(=O)c3ccccc3Cl)s2)n(CC)n1.CCc1cc(-c2cnc(NC(=O)c3ncccc3C)s2)n(CC)n1.Cc1ccc(C(=O)Nc2ncc(-c3cc(C(F)(F)F)nn3C(C)C)s2)cc1.Cc1cccnc1C(=O)Nc1ncc(-c2cc(C(F)(F)F)nn2C(C)C)s1.[C-]#[N+]c1cc(-c2cnc(NC(=O)c3ccccc3Cl)s2)n(C)n1.
What is the InChIKey of 2-chloro-N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;2-chloro-N-[5-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-4-methylbenzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-3-methylpyridine-2-carboxamide;4-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;3-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The InChIKey is IWKRBZVGNWTBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4OS.C18H20N4OS.C17H17ClN4OS.C17H16F3N5OS.C17H16F2N4OS.C17H19N5OS.C15H10ClN5OS/c1-10(2)25-13(8-15(24-25)18(19,20)21)14-9-22-17(27-14)23-16(26)12-6-4-11(3)5-7-12;1-4-14-10-15(22(5-2)21-14)16-11-19-18(24-16)20-17(23)13-8-6-12(3)7-9-13;1-3-11-9-14(22(4-2)21-11)15-10-19-17(24-15)20-16(23)12-7-5-6-8-13(12)18;1-9(2)25-11(7-13(24-25)17(18,19)20)12-8-22-16(27-12)23-15(26)14-10(3)5-4-6-21-14;1-3-10-8-13(23(4-2)22-10)14-9-20-17(25-14)21-16(24)15-11(18)6-5-7-12(15)19;1-4-12-9-13(22(5-2)21-12)14-10-19-17(24-14)20-16(23)15-11(3)7-6-8-18-15;1-17-13-7-11(21(2)20-13)12-8-18-15(23-12)19-14(22)9-5-3-4-6-10(9)16/h4-10H,1-3H3,(H,22,23,26);6-11H,4-5H2,1-3H3,(H,19,20,23);5-10H,3-4H2,1-2H3,(H,19,20,23);4-9H,1-3H3,(H,22,23,26);5-9H,3-4H2,1-2H3,(H,20,21,24);6-10H,4-5H2,1-3H3,(H,19,20,23);3-8H,2H3,(H,18,19,22).
What are the key properties of 2-chloro-N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;2-chloro-N-[5-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-4-methylbenzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-3-methylpyridine-2-carboxamide;4-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;3-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
2-chloro-N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;2-chloro-N-[5-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-4-methylbenzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-3-methylpyridine-2-carboxamide;4-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;3-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide has a molecular weight of 2538.80 g/mol, XLogP of 30.04, 31 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;2-chloro-N-[5-(3-isocyano-1-methylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-4-methylbenzamide;N-[5-(1,3-diethylpyrazol-5-yl)-1,3-thiazol-2-yl]-3-methylpyridine-2-carboxamide;4-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;3-methyl-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 158825655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
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