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Ligand Download |
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| Ligand Name: (1~{R})-1-methyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole | ||
| HET ID: QGH | PubChem: 442025 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: C[C@H]1NCCc2c1[nH]c1c2cccc1 | ||
| Standard InChI: InChI=1S/C12H14N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,8,13-14H,6-7H2,1H3/t8-/m1/s1 | ||
| Molecular Formula: C12H14N2 | Mol. Weight: 186.25296 | Heavy Atoms: 14 |
| Charge: 0 | Is Chiral: True | logP: 2.7034 |
| HBD: 2 | HBA: 1 | TPSA: 27.82 |
| #Bonds: 18 | #Rotatable Bonds: 0 | Shape Complexity: 0.33333334 |
| Stereocomplexity: 0.083333336 | ||