General Information of the Compound
| Compound ID |
CP0934279
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| Compound Name |
6-(4-((3-(5-(trifluoromethyl)pyridin-2-yl)-3,8-diazabicyclo[3.2.1]octan-8-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 |
C24H21F3N6O3
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| Molecular Weight |
498.465
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| Canonical SMILES |
O=c1[nH]c(=O)c2cc(-c3n[nH]cc3CN3C4CCC3CN(c3ccc(C(F)(F)F)cn3)C4)ccc2o1
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| InChI |
InChI=1S/C24H21F3N6O3/c25-24(26,27)15-2-6-20(28-9-15)32-11-16-3-4-17(12-32)33(16)10-14-8-29-31-21(14)13-1-5-19-18(7-13)22(34)30-23(35)36-19/h1-2,5-9,16-17H,3-4,10-12H2,(H,29,31)(H,30,34,35)
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| InChIKey |
PVMYCDZMJCLKSL-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