General Information of the Compound
| Compound ID |
CP0912175
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| Compound Name |
(4aR,10bS)-1,5,5-trimethyl-2,3,4a,10b-tetrahydrochromeno[3,4-b][1,4]oxazine-9-carbonitrile
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| Structure |
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| Formula |
C15H18N2O2
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| Molecular Weight |
258.321
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| Canonical SMILES |
CN1CCO[C@@H]2[C@@H]1c1cc(C#N)ccc1OC2(C)C
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| InChI |
InChI=1S/C15H18N2O2/c1-15(2)14-13(17(3)6-7-18-14)11-8-10(9-16)4-5-12(11)19-15/h4-5,8,13-14H,6-7H2,1-3H3/t13-,14+/m0/s1
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| InChIKey |
UAZKXJHOINNNMJ-UONOGXRCSA-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