General Information of the Compound
| Compound ID |
CP0412811
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| Compound Name |
2-(methylsulfanylmethyl)-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-7-one
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| Structure |
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| Formula |
C16H14F6N2O2S
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| Molecular Weight |
412.355
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| Canonical SMILES |
CSCC1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C16H14F6N2O2S/c1-27-6-8-5-26-13-4-11-9(2-12(13)24(8)7-15(17,18)19)10(16(20,21)22)3-14(25)23-11/h2-4,8H,5-7H2,1H3,(H,23,25)
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| InChIKey |
XNHYVMCHXKZYHD-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