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Ligand Download |
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| Ligand Name: 7-ethyl-10-hydroxycamptothecin | ||
| HET ID: RS4 | PubChem: 104842 | |
| DrugBank: DB05482 | ChEMBL: CHEMBL837 | |
| Canonical SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1c3nc4ccc(cc4c(c3Cn1c2=O)CC)O | ||
| Standard InChI: InChI=1S/C22H20N2O5/c1-3-12-13-7-11(25)5-6-17(13)23-19-14(12)9-24-18(19)8-16-15(20(24)26)10-29-21(27)22(16,28)4-2/h5-8,25,28H,3-4,9-10H2,1-2H3/t22-/m0/s1 | ||
| Molecular Formula: C22H20N2O5 | Mol. Weight: 392.4046 | Heavy Atoms: 29 |
| Charge: 0 | Is Chiral: True | logP: 2.3476 |
| HBD: 2 | HBA: 7 | TPSA: 101.65 |
| #Bonds: 33 | #Rotatable Bonds: 2 | Shape Complexity: 0.3181818 |
| Stereocomplexity: 0.045454547 | ||