General Information of the Compound
| Compound ID |
CP0954845
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| Compound Name |
6-(4-((4-(5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)methyl)-1H-pyrazol-3-yl)-3,4-dihydro-2H-benzo[b][1,4]oxazin-2-one
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| Structure |
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| Formula |
C22H21F3N6O2
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| Molecular Weight |
458.444
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| Canonical SMILES |
O=C1CNc2cc(-c3n[nH]cc3CN3CCN(c4ccc(C(F)(F)F)cn4)CC3)ccc2O1
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| InChI |
InChI=1S/C22H21F3N6O2/c23-22(24,25)16-2-4-19(27-11-16)31-7-5-30(6-8-31)13-15-10-28-29-21(15)14-1-3-18-17(9-14)26-12-20(32)33-18/h1-4,9-11,26H,5-8,12-13H2,(H,28,29)
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| InChIKey |
VUKITTXTVLESLC-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