General Information of the Compound
| Compound ID |
CP0391474
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| Compound Name |
3-(2-tert-Butyl-4,4-dimethyl-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-yl)-5-fluoro-benzonitrile
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| Structure |
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| Formula |
C21H23FN2O
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| Molecular Weight |
338.426
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| Canonical SMILES |
CC(C)(C)C1Nc2ccc(cc2C(C)(C)O1)-c1cc(F)cc(c1)C#N
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| InChI |
InChI=1S/C21H23FN2O/c1-20(2,3)19-24-18-7-6-14(11-17(18)21(4,5)25-19)15-8-13(12-23)9-16(22)10-15/h6-11,19,24H,1-5H3
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| InChIKey |
DJETUOJRHYCFLA-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