Ligand |
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| Ligand Name: 10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE | ||
| HET ID: TFP | PubChem: 5566 | |
| DrugBank: DB00831 | ChEMBL: CHEMBL422 | |
| Canonical SMILES: CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | ||
| Standard InChI: InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3 | ||
| Molecular Formula: C21H24F3N3S | Mol. Weight: 407.49557 | Heavy Atoms: 28 |
| Charge: 0 | Is Chiral: False | logP: 4.8864 |
| HBD: 0 | HBA: 3 | TPSA: 35.02 |
| #Bonds: 31 | #Rotatable Bonds: 5 | Shape Complexity: 0.42857143 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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