0C5
4-({4-[(2-cyanophenyl)amino]pyrimidin-2-yl}amino)benzoic acid
Find entries where: 0C5
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | 4-({4-[(2-cyanophenyl)amino]pyrimidin-2-yl}amino)benzoic acid |
| Identifiers | 4-[[4-[(2-cyanophenyl)amino]pyrimidin-2-yl]amino]benzoic acid |
| Formula | C18 H13 N5 O2 |
| Molecular Weight | 331.328 |
| Type | NON-POLYMER |
| Isomeric SMILES | c1ccc(c(c1)C#N)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O |
| InChI | InChI=1S/C18H13N5O2/c19-11-13-3-1-2-4-15(13)22-16-9-10-20-18(23-16)21-14-7-5-12(6-8-14)17(24)25/h1-10H,(H,24,25)(H2,20,21,22,23) |
| InChIKey | MEKVNSMGVQRYJI-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 38 |
| Chiral Atom Count | 0 |
| Bond Count | 40 |
| Aromatic Bond Count | 18 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 56587965 |
| ChEMBL | CHEMBL2170440 |
