General Information of the Compound
| Compound ID |
CP0912161
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| Compound Name |
(2S,4aS,10bR)-1,2,5,5-tetramethyl-3-oxo-4a,10b-dihydro-2H-chromeno[3,4-b][1,4]oxazine-9-carbonitrile
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| Structure |
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| Formula |
C16H18N2O3
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| Molecular Weight |
286.331
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| Canonical SMILES |
C[C@H]1C(=O)O[C@H]2[C@@H](c3cc(C#N)ccc3OC2(C)C)N1C
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| InChI |
InChI=1S/C16H18N2O3/c1-9-15(19)20-14-13(18(9)4)11-7-10(8-17)5-6-12(11)21-16(14,2)3/h5-7,9,13-14H,1-4H3/t9-,13+,14-/m0/s1
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| InChIKey |
UOUTXIQVXIJXJS-FZZIBODNSA-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