General Information of the Compound
| Compound ID |
CP0116053
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| Compound Name |
N-benzyl-4-methyl-2-[2-oxo-4-(oxolan-2-ylmethoxy)pyridin-1-yl]-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C22H23N3O4S
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| Molecular Weight |
425.51
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| Canonical SMILES |
Cc1nc(sc1C(=O)NCc1ccccc1)-n1ccc(OCC2CCCO2)cc1=O
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| InChI |
InChI=1S/C22H23N3O4S/c1-15-20(21(27)23-13-16-6-3-2-4-7-16)30-22(24-15)25-10-9-17(12-19(25)26)29-14-18-8-5-11-28-18/h2-4,6-7,9-10,12,18H,5,8,11,13-14H2,1H3,(H,23,27)
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| InChIKey |
ADEUYAXXUHPWMD-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