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| Ligand Name: (S)-1-(4-(2-((1-(dimethylamino)propan-2-yl)oxy)-7-(3-hydroxynaphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl)prop-2-en-1-one |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1015 |
PubChem:
132163178
|
Synonym(s):
- chembl4465028
- schembl19637110
- bdbm50507455
show 2 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL4465028 |
| Canonical SMILES: C[C@@H](CN(C)C)Oc1nc2CN(CCc2c(n1)N1CCN(CC1)C(=O)C=C)c1cc(O)cc2ccccc12 |
| Standard InChI: InChI=1S/C29H36N6O3/c1-5-27(37)33-12-14-34(15-13-33)28-24-10-11-35(26-17-22(36)16-21-8-6-7-9-23(21)26)19-25(24)30-29(31-28)38-20(2)18-32(3)4/h5-9,16-17,20,36H,1,10-15,18-19H2,2-4H3/t20-/m0/s1 |
| Molecular Formula: C29H36N6O3 |
Mol. Weight: 516.2849 |
logP: 3.0616 |
| HBD: 1 | HBA: 8 |
| #Rotatable Bonds: 7 | TPSA: 85.27 |