 |
| Ligand Name: MIV-711 |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB977 |
PubChem:
58149464
|
Synonym(s):
- chembl3661025
- schembl11925963
- bdbm123098
- us8735395, 2
- n-[(2s)-1-[(3as,6r,6ar)-6-ethynyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-[5-fluoro-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide
show 4 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL3661025 |
| Canonical SMILES: O=C1CO[C@@H]([C@@H]12)[C@H](C#C)CN2C(=O)[C@H](CC(C)C)NC(=O)c3ccc(cc3)-c4nc(sc4F)N5CCN(C)CC5 |
| Standard InChI: InChI=1S/C29H34FN5O4S/c1-5-18-15-35(24-22(36)16-39-25(18)24)28(38)21(14-17(2)3)31-27(37)20-8-6-19(7-9-20)23-26(30)40-29(32-23)34-12-10-33(4)11-13-34/h1,6-9,17-18,21,24-25H,10-16H2,2-4H3,(H,31,37)/t18-,21+,24-,25-/m1/s1 |
| Molecular Formula: C29H34FN5O4S |
Mol. Weight: 567.23157 |
logP: 2.2736 |
| HBD: 1 | HBA: 8 |
| #Rotatable Bonds: 7 | TPSA: 95.08 |