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| Ligand Name: 3,3-dimethyl-8-{[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl}-2H,3H,4H,10H-pyrimido[1,2-a]indol-10-one |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB885 |
PubChem:
11525287
|
Synonym(s):
- way-208698
- bmc177755 compound 3
- chembl592983
- schembl5343396
- bdbm19730
- 3,3-dimethyl-8-[(2s)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl-2,4-dihydropyrimido[1,2-a]indol-10-one
- 3,3-dimethyl-8-{[(2s)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2h,3h,4h,10h-pyrimido[1,2-a]indol-10-one
show 6 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL592983 |
| Canonical SMILES: CC1(C)CN=C2N(C1)c1ccc(cc1C2=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |
| Standard InChI: InChI=1S/C24H27N3O4S/c1-24(2)15-25-23-22(28)20-13-19(10-11-21(20)26(23)16-24)32(29,30)27-12-6-7-17(27)14-31-18-8-4-3-5-9-18/h3-5,8-11,13,17H,6-7,12,14-16H2,1-2H3/t17-/m0/s1 |
| Molecular Formula: C24H27N3O4S |
Mol. Weight: 453.17224 |
logP: 3.3597 |
| HBD: 0 | HBA: 6 |
| #Rotatable Bonds: 5 | TPSA: 79.28 |