General Information of the Compound
| Compound ID |
CP0574316
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| Compound Name |
4-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrido[3,2-b][1,4]thiazin-3-one
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| Structure |
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| Formula |
C16H13F3N2OS
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| Molecular Weight |
338.354
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| Canonical SMILES |
CC(N1C(=O)CSc2cccnc12)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C16H13F3N2OS/c1-10(11-4-2-5-12(8-11)16(17,18)19)21-14(22)9-23-13-6-3-7-20-15(13)21/h2-8,10H,9H2,1H3
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| InChIKey |
LRPBZJNZJSRNQB-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