2-[5-[(2-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(3-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chloro-3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(3,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
C141H126Cl3FN24O25 — CID 157417084
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-[5-[(2-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(3-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chloro-3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(3,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCCc1cnn(-c2cc(C(=O)O)ccn2)c1OCc1ccc(C)cc1.COc1cc(C)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1.Cc1cc(COc2ccnn2-c2cc(C(=O)O)ccn2)ccc1Cl.Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c(C)c1.Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c(Cl)c1.Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c(F)c1.Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1C.Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1Cl
InChIInChI=1S/C19H19N3O3.C18H17N3O4.2C18H17N3O3.3C17H14ClN3O3.C17H14FN3O3/c1-3-15-11-21-22(17-10-16(19(23)24)8-9-20-17)18(15)25-12-14-6-4-13(2)5-7-14;1-12-3-4-14(15(9-12)24-2)11-25-17-6-8-20-21(17)16-10-13(18(22)23)5-7-19-16;1-12-3-4-14(9-13(12)2)11-24-17-6-8-20-21(17)16-10-15(18(22)23)5-7-19-16;1-12-3-4-15(13(2)9-12)11-24-17-6-8-20-21(17)16-10-14(18(22)23)5-7-19-16;1-11-8-12(2-3-14(11)18)10-24-16-5-7-20-21(16)15-9-13(17(22)23)4-6-19-15;1-11-2-3-12(8-14(11)18)10-24-16-5-7-20-21(16)15-9-13(17(22)23)4-6-19-15;2*1-11-2-3-13(14(18)8-11)10-24-16-5-7-20-21(16)15-9-12(17(22)23)4-6-19-15/h4-11H,3,12H2,1-2H3,(H,23,24);3-10H,11H2,1-2H3,(H,22,23);2*3-10H,11H2,1-2H3,(H,22,23);4*2-9H,10H2,1H3,(H,22,23)
InChIKeyBOZBYZVNRRVZMG-UHFFFAOYSA-N
MW2682.06 g/mol
LogP26.11
Rot. Bonds42
About 2-[5-[(2-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(3-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chloro-3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(3,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
2-[5-[(2-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(3-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chloro-3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(3,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (PubChem CID 157417084) has the molecular formula C141H126Cl3FN24O25 and a molecular weight of 2682.06 g/mol. Its IUPAC name is 2-[5-[(2-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(3-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chloro-3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(3,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.
Molecular Properties
| Compound Name | 2-[5-[(2-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(3-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chloro-3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(3,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid |
|---|---|
| PubChem CID | 157417084 |
| Molecular Formula | C141H126Cl3FN24O25 |
| Molecular Weight | 2682.06 g/mol |
| Exact Mass | 2678.84 |
| IUPAC Name | 2-[5-[(2-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(3-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chloro-3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(3,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid |
| SMILES | CCc1cnn(-c2cc(C(=O)O)ccn2)c1OCc1ccc(C)cc1.COc1cc(C)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1.Cc1cc(COc2ccnn2-c2cc(C(=O)O)ccn2)ccc1Cl.Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c(C)c1.Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c(Cl)c1.Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c(F)c1.Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1C.Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1Cl |
| InChI | InChI=1S/C19H19N3O3.C18H17N3O4.2C18H17N3O3.3C17H14ClN3O3.C17H14FN3O3/c1-3-15-11-21-22(17-10-16(19(23)24)8-9-20-17)18(15)25-12-14-6-4-13(2)5-7-14;1-12-3-4-14(15(9-12)24-2)11-25-17-6-8-20-21(17)16-10-13(18(22)23)5-7-19-16;1-12-3-4-14(9-13(12)2)11-24-17-6-8-20-21(17)16-10-15(18(22)23)5-7-19-16;1-12-3-4-15(13(2)9-12)11-24-17-6-8-20-21(17)16-10-14(18(22)23)5-7-19-16;1-11-8-12(2-3-14(11)18)10-24-16-5-7-20-21(16)15-9-13(17(22)23)4-6-19-15;1-11-2-3-12(8-14(11)18)10-24-16-5-7-20-21(16)15-9-13(17(22)23)4-6-19-15;2*1-11-2-3-13(14(18)8-11)10-24-16-5-7-20-21(16)15-9-12(17(22)23)4-6-19-15/h4-11H,3,12H2,1-2H3,(H,23,24);3-10H,11H2,1-2H3,(H,22,23);2*3-10H,11H2,1-2H3,(H,22,23);4*2-9H,10H2,1H3,(H,22,23) |
| InChIKey | BOZBYZVNRRVZMG-UHFFFAOYSA-N |
| XLogP | 26.11 |
| TPSA | 627.15 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 194 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2682.06 |
| LogP ≤ 5 | 26.11 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 41 |
Frequently Asked Questions
What is the IUPAC name of 2-[5-[(2-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(3-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chloro-3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(3,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-[(2-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(3-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chloro-3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(3,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (CID 157417084) is 2-[5-[(2-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(3-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chloro-3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(3,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-[(2-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(3-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chloro-3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(3,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-[(2-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(3-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chloro-3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(3,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is CCc1cnn(-c2cc(C(=O)O)ccn2)c1OCc1ccc(C)cc1.COc1cc(C)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1.Cc1cc(COc2ccnn2-c2cc(C(=O)O)ccn2)ccc1Cl.Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c(C)c1.Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c(Cl)c1.Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c(F)c1.Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1C.Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1Cl.
What is the InChIKey of 2-[5-[(2-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(3-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chloro-3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(3,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The InChIKey is BOZBYZVNRRVZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3.C18H17N3O4.2C18H17N3O3.3C17H14ClN3O3.C17H14FN3O3/c1-3-15-11-21-22(17-10-16(19(23)24)8-9-20-17)18(15)25-12-14-6-4-13(2)5-7-14;1-12-3-4-14(15(9-12)24-2)11-25-17-6-8-20-21(17)16-10-13(18(22)23)5-7-19-16;1-12-3-4-14(9-13(12)2)11-24-17-6-8-20-21(17)16-10-15(18(22)23)5-7-19-16;1-12-3-4-15(13(2)9-12)11-24-17-6-8-20-21(17)16-10-14(18(22)23)5-7-19-16;1-11-8-12(2-3-14(11)18)10-24-16-5-7-20-21(16)15-9-13(17(22)23)4-6-19-15;1-11-2-3-12(8-14(11)18)10-24-16-5-7-20-21(16)15-9-13(17(22)23)4-6-19-15;2*1-11-2-3-13(14(18)8-11)10-24-16-5-7-20-21(16)15-9-12(17(22)23)4-6-19-15/h4-11H,3,12H2,1-2H3,(H,23,24);3-10H,11H2,1-2H3,(H,22,23);2*3-10H,11H2,1-2H3,(H,22,23);4*2-9H,10H2,1H3,(H,22,23).
What are the key properties of 2-[5-[(2-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(3-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chloro-3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(3,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
2-[5-[(2-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(3-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chloro-3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(3,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid has a molecular weight of 2682.06 g/mol, XLogP of 26.11, 42 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(3-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chloro-3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(3,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-ethyl-5-[(4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-methoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 157417084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157417084 — identifiers, structure, computed properties (public domain)
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