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| Ligand Name: MIV-701 |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB903 |
PubChem:
24883045
|
Synonym(s):
- schembl4727400
- n-[(2s)-1-[(3as,6s,6as)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide
show 1 synonym(s)
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: O1CC(=O)[C@H]([C@H]12)N(C[C@@H]2F)C(=O)[C@H](CC(C)C)NC(=O)c3ccc(cc3)-c4nc(sc4)N5CCN(C)CC5 |
| Standard InChI: InChI=1S/C27H34FN5O4S/c1-16(2)12-20(26(36)33-13-19(28)24-23(33)22(34)14-37-24)29-25(35)18-6-4-17(5-7-18)21-15-38-27(30-21)32-10-8-31(3)9-11-32/h4-7,15-16,19-20,23-24H,8-14H2,1-3H3,(H,29,35)/t19-,20-,23+,24+/m0/s1 |
| Molecular Formula: C27H34FN5O4S |
Mol. Weight: 543.23157 |
logP: 2.2232 |
| HBD: 1 | HBA: 8 |
| #Rotatable Bonds: 7 | TPSA: 95.08 |