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| Ligand Name: N-[(3R,4S)-4-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}oxolan-3-yl]prop-2-enamide |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1266 |
PubChem:
90436886
|
Synonym(s):
- schembl16071657
- bdbm100954
- us9695132, i-241
show 2 synonym(s)
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: Clc1c(OC)cc(OC)c(Cl)c1-c(c2)c(=O)n(C)c(c23)nc(nc3)N[C@@H]4COC[C@@H]4NC(=O)C=C |
| Standard InChI: InChI=1S/C23H23Cl2N5O5/c1-5-17(31)27-13-9-35-10-14(13)28-23-26-8-11-6-12(22(32)30(2)21(11)29-23)18-19(24)15(33-3)7-16(34-4)20(18)25/h5-8,13-14H,1,9-10H2,2-4H3,(H,27,31)(H,26,28,29)/t13-,14+/m0/s1 |
| Molecular Formula: C23H23Cl2N5O5 |
Mol. Weight: 519.1076 |
logP: 2.801 |
| HBD: 2 | HBA: 9 |
| #Rotatable Bonds: 7 | TPSA: 116.6 |