General Information of the Compound
| Compound ID |
CP0963487
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| Compound Name |
(4aR,10bS)-1-benzyl-5,5-dimethyl-2,3,4a,10b-tetrahydrochromeno[3,4-b][1,4]oxazine-9-carbonitrile
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| Structure |
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| Formula |
C21H22N2O2
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| Molecular Weight |
334.419
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| Canonical SMILES |
CC1(C)Oc2ccc(C#N)cc2[C@H]2[C@H]1OCCN2Cc1ccccc1
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| InChI |
InChI=1S/C21H22N2O2/c1-21(2)20-19(17-12-16(13-22)8-9-18(17)25-21)23(10-11-24-20)14-15-6-4-3-5-7-15/h3-9,12,19-20H,10-11,14H2,1-2H3/t19-,20+/m0/s1
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| InChIKey |
SBFAIASLTJFHJS-VQTJNVASSA-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