General Information of the Compound
| Compound ID |
CP0951006
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| Compound Name |
6-(4-((4-(5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)methyl)-1H-pyrazol-3-yl)-2H-benzo[e][1,3]oxazine-2,4(3H)-dione
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| Structure |
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| Formula |
C22H19F3N6O3
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| Molecular Weight |
472.427
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| Canonical SMILES |
O=c1[nH]c(=O)c2cc(-c3n[nH]cc3CN3CCN(c4ccc(C(F)(F)F)cn4)CC3)ccc2o1
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| InChI |
InChI=1S/C22H19F3N6O3/c23-22(24,25)15-2-4-18(26-11-15)31-7-5-30(6-8-31)12-14-10-27-29-19(14)13-1-3-17-16(9-13)20(32)28-21(33)34-17/h1-4,9-11H,5-8,12H2,(H,27,29)(H,28,32,33)
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| InChIKey |
SQEZTSWFAQNQGN-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