General Information of the Compound
| Compound ID |
CP0911605
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| Compound Name |
(2R,4aR,10bS)-5,5-dimethyl-2-propan-2-yl-2,3,4a,10b-tetrahydro-1H-chromeno[3,4-b][1,4]oxazine-9-carbonitrile
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| Structure |
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| Formula |
C17H22N2O2
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| Molecular Weight |
286.375
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| Canonical SMILES |
CC(C)[C@@H]1CO[C@@H]2[C@@H](N1)c1cc(C#N)ccc1OC2(C)C
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| InChI |
InChI=1S/C17H22N2O2/c1-10(2)13-9-20-16-15(19-13)12-7-11(8-18)5-6-14(12)21-17(16,3)4/h5-7,10,13,15-16,19H,9H2,1-4H3/t13-,15-,16+/m0/s1
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| InChIKey |
UEAMXHLBHHUPSX-CWRNSKLLSA-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