General Information of the Compound
| Compound ID |
CP0394253
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| Compound Name |
2-[7-oxo-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-3,6-dihydro-2H-pyrido[3,2-g][1,4]benzoxazin-2-yl]acetonitrile
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| Structure |
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| Formula |
C16H11F6N3O2
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| Molecular Weight |
391.271
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| Canonical SMILES |
FC(F)(F)CN1C(CC#N)COc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
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| InChI |
InChI=1S/C16H11F6N3O2/c17-15(18,19)7-25-8(1-2-23)6-27-13-5-11-9(3-12(13)25)10(16(20,21)22)4-14(26)24-11/h3-5,8H,1,6-7H2,(H,24,26)
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| InChIKey |
MYVMWZVGIURZKT-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