9CJ
2-[5-[2-(3-methoxyphenyl)ethanoylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid
Find entries where: 9CJ
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
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Name | 2-[5-[2-(3-methoxyphenyl)ethanoylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid |
Identifiers | 2-[5-[2-(3-methoxyphenyl)ethanoylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid |
Formula | C21 H18 N2 O5 |
Molecular Weight | 378.378 |
Type | NON-POLYMER |
Isomeric SMILES | COc1cccc(c1)CC(=O)Nc2ccc(c(c2)c3cc(ccn3)C(=O)O)O |
InChI | InChI=1S/C21H18N2O5/c1-28-16-4-2-3-13(9-16)10-20(25)23-15-5-6-19(24)17(12-15)18-11-14(21(26)27)7-8-22-18/h2-9,11-12,24H,10H2,1H3,(H,23,25)(H,26,27) |
InChIKey | QSWJSOQQNWMPME-UHFFFAOYSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 46 |
Chiral Atom Count | 0 |
Bond Count | 48 |
Aromatic Bond Count | 18 |
Related Resource References
Resource Name | Reference |
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Pharos | CHEMBL3775272 |
PubChem | 135567042 |
ChEMBL | CHEMBL3775272 |