General Information of the Compound
| Compound ID |
CP0385789
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| Compound Name |
6-[2-(3-methylsulfanylanilino)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
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| Structure |
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| Formula |
C17H13N3O2S2
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| Molecular Weight |
355.444
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| Canonical SMILES |
CSc1cccc(Nc2nc(cs2)-c2ccc3[nH]c(=O)oc3c2)c1
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| InChI |
InChI=1S/C17H13N3O2S2/c1-23-12-4-2-3-11(8-12)18-16-19-14(9-24-16)10-5-6-13-15(7-10)22-17(21)20-13/h2-9H,1H3,(H,18,19)(H,20,21)
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| InChIKey |
SIQIQTBQWBAGCH-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