General Information of the Compound
| Compound ID |
CP0948707
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| Compound Name |
(2S,4aR,10bS)-2,5,5-trimethyl-3-oxo-1,2,4a,10b-tetrahydrochromeno[3,4-b][1,4]oxazine-9-carbonitrile
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| Structure |
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| Formula |
C15H16N2O3
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| Molecular Weight |
272.304
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| Canonical SMILES |
C[C@@H]1N[C@H]2c3cc(C#N)ccc3OC(C)(C)[C@@H]2OC1=O
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| InChI |
InChI=1S/C15H16N2O3/c1-8-14(18)19-13-12(17-8)10-6-9(7-16)4-5-11(10)20-15(13,2)3/h4-6,8,12-13,17H,1-3H3/t8-,12-,13+/m0/s1
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| InChIKey |
QRMNOLRRYBCKNV-AQUOVQTQSA-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