General Information of the Compound
| Compound ID |
CP0433826
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| Compound Name |
(2R)-2-benzyl-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 |
C21H16F6N2O2
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| Molecular Weight |
442.359
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| Canonical SMILES |
FC(F)(F)CN1[C@H](Cc2ccccc2)COc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
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| InChI |
InChI=1S/C21H16F6N2O2/c22-20(23,24)11-29-13(6-12-4-2-1-3-5-12)10-31-18-9-16-14(7-17(18)29)15(21(25,26)27)8-19(30)28-16/h1-5,7-9,13H,6,10-11H2,(H,28,30)/t13-/m1/s1
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| InChIKey |
RJQQBUCAUJOLTN-CYBMUJFWSA-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