General Information of the Compound
| Compound ID |
CP0957065
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| Compound Name |
(2R,4aR,10bS)-5,5-dimethyl-3-oxo-2-propan-2-yl-1,2,4a,10b-tetrahydrochromeno[3,4-b][1,4]oxazine-9-carbonitrile
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| Structure |
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| Formula |
C17H20N2O3
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| Molecular Weight |
300.358
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| Canonical SMILES |
CC(C)[C@H]1N[C@H]2c3cc(C#N)ccc3OC(C)(C)[C@@H]2OC1=O
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| InChI |
InChI=1S/C17H20N2O3/c1-9(2)13-16(20)21-15-14(19-13)11-7-10(8-18)5-6-12(11)22-17(15,3)4/h5-7,9,13-15,19H,1-4H3/t13-,14+,15-/m1/s1
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| InChIKey |
IKORTLLVHLYTSZ-QLFBSQMISA-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