General Information of the Compound
| Compound ID |
CP0022922
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| Compound Name |
8-[6-[(2-hydroxy-2-methylpropyl)carbamoyl]pyridin-3-yl]oxy-4,5-dihydrothieno[3,4-g][1,2]benzothiazole-6-carboxamide
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| Structure |
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| Formula |
C20H20N4O4S2
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| Molecular Weight |
444.538
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| Canonical SMILES |
CC(C)(O)CNC(=O)c1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)cn1
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| InChI |
InChI=1S/C20H20N4O4S2/c1-20(2,27)9-23-18(26)13-6-4-11(8-22-13)28-19-14-12(16(29-19)17(21)25)5-3-10-7-24-30-15(10)14/h4,6-8,27H,3,5,9H2,1-2H3,(H2,21,25)(H,23,26)
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| InChIKey |
DYILYHVZADZHDJ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound