General Information of the Compound
| Compound ID |
CP0386546
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| Compound Name |
4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-6-(hydroxymethyl)pyrido[3,2-b][1,4]thiazin-3-one
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| Structure |
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| Formula |
C16H12ClF3N2O2S
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| Molecular Weight |
388.798
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| Canonical SMILES |
OCc1ccc2SCC(=O)N(Cc3ccc(Cl)c(c3)C(F)(F)F)c2n1
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| InChI |
InChI=1S/C16H12ClF3N2O2S/c17-12-3-1-9(5-11(12)16(18,19)20)6-22-14(24)8-25-13-4-2-10(7-23)21-15(13)22/h1-5,23H,6-8H2
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| InChIKey |
PCDAJNVDWSQAJI-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