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| Ligand Name: N-{2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl}guanidine |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB213 |
PubChem:
44416547
|
Synonym(s):
- chembl215750
- chembl3545675
- bdbm50192106
- n-{2-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-ethyl}-guanidine trifluoro-acetic acid
show 3 synonym(s)
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| DrugBank: - |
ChEMBL: CHEMBL3545675 |
| Canonical SMILES: CC1(C)OB(OC1(C)C)c1ccc(CCNC(N)=N)cc1 |
| Standard InChI: InChI=1S/C15H24BN3O2/c1-14(2)15(3,4)21-16(20-14)12-7-5-11(6-8-12)9-10-19-13(17)18/h5-8H,9-10H2,1-4H3,(H4,17,18,19) |
| Molecular Formula: C15H24BN3O2 |
Mol. Weight: 289.19617 |
logP: 1.01137 |
| HBD: 3 | HBA: 3 |
| #Rotatable Bonds: 4 | TPSA: 80.36 |