 |
| Ligand Name: KPT185 |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1013 |
PubChem:
53386081
|
Synonym(s):
- kpt-185
- 1333151-73-7
- schembl1335180
- zinc115889190
- sb19565
- as-55959
show 5 synonym(s)
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: COc1cc(cc(c1)C(F)(F)F)-c2ncn(n2)/C=C/C(=O)OC(C)C |
| Standard InChI: InChI=1S/C16H16F3N3O3/c1-10(2)25-14(23)4-5-22-9-20-15(21-22)11-6-12(16(17,18)19)8-13(7-11)24-3/h4-10H,1-3H3/b5-4+ |
| Molecular Formula: C16H16F3N3O3 |
Mol. Weight: 355.11438 |
logP: 3.3948 |
| HBD: 0 | HBA: 6 |
| #Rotatable Bonds: 5 | TPSA: 66.24 |