General Information of the Compound
| Compound ID |
CP0452719
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| Compound Name |
4-(4,4-diethyl-1-methyl-2-oxo-2,4-dihydro-1H-benzo[d][1,3]oxazin-6-ylamino)-2-fluorobenzonitrile
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| Structure |
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| Formula |
C20H20FN3O2
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| Molecular Weight |
353.397
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| Canonical SMILES |
CCC1(CC)OC(=O)N(C)c2ccc(Nc3ccc(C#N)c(F)c3)cc12
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| InChI |
InChI=1S/C20H20FN3O2/c1-4-20(5-2)16-10-14(8-9-18(16)24(3)19(25)26-20)23-15-7-6-13(12-22)17(21)11-15/h6-11,23H,4-5H2,1-3H3
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| InChIKey |
ZPSAYSOIUOZMIM-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