 |
| Ligand Name:
2-chloro-5-(4-methyl-6-oxo-3-phenylpyrano[2,3-c]pyrazol-1(6H)-yl)benzoic acid |
| HET ID: 9ZY |
PubChem:
1308046
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: O=c1cc(C)c2c(o1)n(nc2c1ccccc1)c1ccc(c(c1)C(=O)O)Cl |
| Standard InChI: InChI=1S/C20H13ClN2O4/c1-11-9-16(24)27-19-17(11)18(12-5-3-2-4-6-12)22-23(19)13-7-8-15(21)14(10-13)20(25)26/h2-10H,1H3,(H,25,26) |
| Molecular Formula: C20H13ClN2O4 |
Mol. Weight: 380.78122 |
Heavy Atoms: 27 |
| Charge: 0 |
Is Chiral: False |
logP: 4.3057 |
| HBD: 1 |
HBA: 6 |
TPSA: 85.33 |
| #Bonds: 30 |
#Rotatable Bonds: 3 |
Shape Complexity: 0.05 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |