 |
| Ligand Name:
(2E)-N-ALLYL-4-{[3-(4-BROMOPHENYL)-5-FLUORO-1-METHYL-1H-INDAZOL-6-YL]OXY}-N-METHYL-2-BUTEN-1-AMINE |
| HET ID: R04 |
PubChem:
445990
|
| DrugBank: DB02139 |
ChEMBL: CHEMBL65730 |
| Canonical SMILES: C=CCN(C/C=C/COc1cc2n(C)nc(c2cc1F)c1ccc(cc1)Br)C |
| Standard InChI: InChI=1S/C22H23BrFN3O/c1-4-11-26(2)12-5-6-13-28-21-15-20-18(14-19(21)24)22(25-27(20)3)16-7-9-17(23)10-8-16/h4-10,14-15H,1,11-13H2,2-3H3/b6-5+ |
| Molecular Formula: C22H23BrFN3O |
Mol. Weight: 444.33994 |
Heavy Atoms: 28 |
| Charge: 0 |
Is Chiral: False |
logP: 5.1947 |
| HBD: 0 |
HBA: 4 |
TPSA: 30.29 |
| #Bonds: 30 |
#Rotatable Bonds: 8 |
Shape Complexity: 0.22727273 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |