General Information of the Compound
| Compound ID |
CP0469557
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| Compound Name |
4-(2,4,4-Trimethyl-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-yl)-furan-2-carbonitrile
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| Structure |
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| Formula |
C16H16N2O2
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| Molecular Weight |
268.316
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| Canonical SMILES |
CC1Nc2ccc(cc2C(C)(C)O1)-c1coc(c1)C#N
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| InChI |
InChI=1S/C16H16N2O2/c1-10-18-15-5-4-11(7-14(15)16(2,3)20-10)12-6-13(8-17)19-9-12/h4-7,9-10,18H,1-3H3
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| InChIKey |
VFDZFFSGUNRXFG-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