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Ligand Download |
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| 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 | ||