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| Ligand Name: (4R,7S)-3-[(4-methoxyphenyl)methyl]-3,5,6,7-tetrahydrospiro[1,2,3-benzotriazole-4,2'-oxiran]-7-yl N-(propan-2-yl)carbamate |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB249 |
PubChem:
118987457
|
Synonym(s):
- bdbm178130
- (4r,7s)-3-[(4-methoxyphenyl)methyl]-3,5,6,7-tetrahydrospiro[1,2,3-benzotriazole-4,2'-oxirane]-7-yl n-(propan-2-yl)carbamate ((+)-31b)"]
show 1 synonym(s)
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| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: COc1ccc(cc1)Cn2nnc(c2[C@]34CO3)[C@H](CC4)OC(=O)NC(C)C |
| Standard InChI: InChI=1S/C19H24N4O4/c1-12(2)20-18(24)27-15-8-9-19(11-26-19)17-16(15)21-22-23(17)10-13-4-6-14(25-3)7-5-13/h4-7,12,15H,8-11H2,1-3H3,(H,20,24)/t15-,19-/m0/s1 |
| Molecular Formula: C19H24N4O4 |
Mol. Weight: 372.17975 |
logP: 2.53 |
| HBD: 1 | HBA: 7 |
| #Rotatable Bonds: 5 | TPSA: 90.8 |