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Ligand Download |
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| Ligand Name: TRICHOSTATIN A | ||
| HET ID: TSN | PubChem: 444732 | |
| DrugBank: DB04297 | ChEMBL: CHEMBL99 | |
| Canonical SMILES: ONC(=O)/C=C/C(=C/[C@H](C(=O)c1ccc(cc1)N(C)C)C)/C | ||
| Standard InChI: InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | ||
| Molecular Formula: C17H22N2O3 | Mol. Weight: 302.3682 | Heavy Atoms: 22 |
| Charge: 0 | Is Chiral: True | logP: 2.9702 |
| HBD: 2 | HBA: 5 | TPSA: 69.64 |
| #Bonds: 23 | #Rotatable Bonds: 7 | Shape Complexity: 0.29411766 |
| Stereocomplexity: 0.05882353 | ||