General Information of the Compound
| Compound ID |
CP0561450
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| Compound Name |
6-(4-ethyl-8-fluoro-2,3-dihydro-1,4-benzoxazin-6-yl)-3-[3-(1H-1,2,4-triazol-5-yl)pentan-3-yl]-1H-pyridin-2-one
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| Structure |
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| Formula |
C22H26FN5O2
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| Molecular Weight |
411.481
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| Canonical SMILES |
CCN1CCOc2c(F)cc(cc12)-c1ccc(c(=O)[nH]1)C(CC)(CC)c1nnc[nH]1
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| InChI |
InChI=1S/C22H26FN5O2/c1-4-22(5-2,21-24-13-25-27-21)15-7-8-17(26-20(15)29)14-11-16(23)19-18(12-14)28(6-3)9-10-30-19/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,26,29)(H,24,25,27)
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| InChIKey |
CDNAFJIOSXPPIR-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