General Information of the Compound
| Compound ID |
CP0463685
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| Compound Name |
2-Fluoro-5-(2,4,4-trimethyl-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-yl)-benzonitrile
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| Structure |
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| Formula |
C18H17FN2O
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| Molecular Weight |
296.345
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| Canonical SMILES |
CC1Nc2ccc(cc2C(C)(C)O1)-c1ccc(F)c(c1)C#N
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| InChI |
InChI=1S/C18H17FN2O/c1-11-21-17-7-5-13(9-15(17)18(2,3)22-11)12-4-6-16(19)14(8-12)10-20/h4-9,11,21H,1-3H3
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| InChIKey |
IRXRSSWCEOCJSO-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