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| Ligand Name: (3S,14Z)-22-chloro-N-(1-cyanocyclopropyl)-5-oxo-12,17-dioxa-4-azatricyclo[16.2.2.0⁶,¹¹]docosa-1(20),6,8,10,14,18,21-heptaene-3-carboxamide |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB604 |
PubChem:
71656261
|
Synonym(s):
- (3~{s},14~{e})-19-chloranyl-~{n}-(1-cyanocyclopropyl)-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide
- chembl4110750
- schembl15126101
- bdbm210834
- us9290467, 4
show 4 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL4110750 |
| Canonical SMILES: c1cccc(c12)OC\C=C\COc3ccc(cc3Cl)C[C@H](NC2=O)C(=O)NC4(C#N)CC4 |
| Standard InChI: InChI=1S/C24H22ClN3O4/c25-18-13-16-7-8-21(18)32-12-4-3-11-31-20-6-2-1-5-17(20)22(29)27-19(14-16)23(30)28-24(15-26)9-10-24/h1-8,13,19H,9-12,14H2,(H,27,29)(H,28,30)/b4-3+/t19-/m0/s1 |
| Molecular Formula: C24H22ClN3O4 |
Mol. Weight: 451.12988 |
logP: 3.18088 |
| HBD: 2 | HBA: 5 |
| #Rotatable Bonds: 2 | TPSA: 100.45 |