General Information of the Compound
| Compound ID |
CP0888653
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| Compound Name |
(2S,4aS,10bR)-2-benzyl-5,5-dimethyl-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 |
C21H20N2O3
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| Molecular Weight |
348.402
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| Canonical SMILES |
CC1(C)Oc2ccc(C#N)cc2[C@H]2N[C@@H](Cc3ccccc3)C(=O)O[C@@H]21
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| InChI |
InChI=1S/C21H20N2O3/c1-21(2)19-18(15-10-14(12-22)8-9-17(15)26-21)23-16(20(24)25-19)11-13-6-4-3-5-7-13/h3-10,16,18-19,23H,11H2,1-2H3/t16-,18+,19-/m0/s1
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| InChIKey |
GNJYZKYKXYCUFB-UHOSZYNNSA-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