General Information of the Compound
| Compound ID |
CP0458065
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| Compound Name |
(2R)-1,2-bis(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 |
C16H11F9N2O2
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| Molecular Weight |
434.258
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| Canonical SMILES |
FC(F)(F)C[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C16H11F9N2O2/c17-14(18,19)4-7-5-29-12-3-10-8(1-11(12)27(7)6-15(20,21)22)9(16(23,24)25)2-13(28)26-10/h1-3,7H,4-6H2,(H,26,28)/t7-/m1/s1
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| InChIKey |
XWSYBNSDPUSWMW-SSDOTTSWSA-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