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| Ligand Name: (3S)-1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-3-oxidanyl-3H-indol-2-one |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB95 |
PubChem:
1966642
|
Synonym(s):
- chembl3128211
- 1-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-1h-indole-2,3-dione
- cambridge id 6505720
- schembl16798717
- bdbm50448793
- stk333980
- zinc19851168
- akos000641291
- mcule-5674435212
- ag-205/37107093
- 1-{[4-(1,3-benzodioxol-5-ylmethyl)piperazino]methyl}-1h-indole-2,3-dione
- 1-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl}-1h-indole-2,3-dione
- 296792-72-8
show 12 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL3128211 |
| Canonical SMILES: O=C1N(CN2CCN(Cc3ccc4OCOc4c3)CC2)c2ccccc2C1=O |
| Standard InChI: InChI=1S/C21H21N3O4/c25-20-16-3-1-2-4-17(16)24(21(20)26)13-23-9-7-22(8-10-23)12-15-5-6-18-19(11-15)28-14-27-18/h1-6,11H,7-10,12-14H2 |
| Molecular Formula: C21H21N3O4 |
Mol. Weight: 379.1532 |
logP: 1.7199 |
| HBD: 0 | HBA: 6 |
| #Rotatable Bonds: 4 | TPSA: 62.32 |