General Information of the Compound
| Compound ID |
CP0895829
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| Compound Name |
6-(4-((3-(5-(trifluoromethyl)pyridin-2-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl)-1H-pyrazol-3-yl)-3,4-dihydro-2H-benzo[e][1,3]oxazin-2-one
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| Structure |
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| Formula |
C23H21F3N6O2
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| Molecular Weight |
470.455
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| Canonical SMILES |
O=C1NCc2cc(-c3n[nH]cc3CN3C4CC3CN(c3ccc(C(F)(F)F)cn3)C4)ccc2O1
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| InChI |
InChI=1S/C23H21F3N6O2/c24-23(25,26)16-2-4-20(27-9-16)31-11-17-6-18(12-31)32(17)10-15-8-29-30-21(15)13-1-3-19-14(5-13)7-28-22(33)34-19/h1-5,8-9,17-18H,6-7,10-12H2,(H,28,33)(H,29,30)
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| InChIKey |
HBWTWQFJOLVXOQ-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