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| Ligand Name: N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]guanidine |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB216 |
PubChem:
44416549
|
Synonym(s):
- chembl213434
- chembl3545664
- bdbm50192102
- n-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-guanidine trifluoro-acetic acid
show 3 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL3545664 |
| Canonical SMILES: CC1(C)OB(OC1(C)C)c1ccc(NC(N)=N)cc1 |
| Standard InChI: InChI=1S/C13H20BN3O2/c1-12(2)13(3,4)19-14(18-12)9-5-7-10(8-6-9)17-11(15)16/h5-8H,1-4H3,(H4,15,16,17) |
| Molecular Formula: C13H20BN3O2 |
Mol. Weight: 261.16486 |
logP: 1.29117 |
| HBD: 3 | HBA: 3 |
| #Rotatable Bonds: 2 | TPSA: 80.36 |