| Synonyms |
Dispiro[2H-indene-2,3'-[3H,5H,8H,10H]bisthiazolo[3,4-a:3',4'-d]pyrazine-8',2''-[2H]indene]-1,1'',3,3'',5',10'-hexone, 1',5'a,6',10'a-tetrahydro-, (5'aS,10'aS)-; dSdP; (5a'S,10a'S)-5a',6'-Dihydro-1'H,5'H-dispiro[indene-2,3'-bis[1,3]thiazolo[3,4-a:3',4'-d]pyrazine-8',2''-indene]-1,1'',3,3'',5',10'(10a'H)-hexone |
| IUPAC Name |
(5a'S,10a'S)-1',5a',6',10a'-tetrahydro-5'H,10'H-dispiro[indene-2,3'-dithiazolo[3,4-a:3',4'-d]pyrazine-8',2''-indene]-1,1'',3,3'',5',10'-hexaone |
| Molecular Weight |
490.51 |
| Molecular Formula |
C24H14N2O6S2 |
| Canonical SMILES |
C1C2C(=O)N3C(CSC34C(=O)C5=CC=CC=C5C4=O)C(=O)N2C6(S1)C(=O)C7=CC=CC=C7C6=O |
| InChI |
InChI=1S/C24H14N2O6S2/c27-17-11-5-1-2-6-12(11)18(28)23(17)25-15(9-33-23)22(32)26-16(21(25)31)10-34-24(26)19(29)13-7-3-4-8-14(13)20(24)30/h1-8,15-16H,9-10H2/t15-,16-/m1/s1 |
| InChIKey |
GBYAWPJNMFAKDJ-HZPDHXFCSA-N |
| Boiling Point |
903.8±65.0°C (Predicted) |
| Purity |
≥98% |
| Density |
1.78±0.1 g/cm3 (Predicted) |
| Solubility |
Soluble in DMSO |
| Appearance |
Solid |
| Storage |
Store at -20°C |
| Complexity |
957 |
| Exact Mass |
490.02932852 |
| In Vitro |
ZINC03129319 inhibits DENV NS2B-NS3 protease with Ki1 of 92±15 μM and Ki3 of 20±4 μM. |
| Target |
Ki1: 92±15 μM (DENV NS2B-NS3 protease) Ki3: 20±4 μM (DENV NS2B-NS3 protease) |
| XLogP3-AA |
2.4 |
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