General Information of the Compound
| Compound ID |
CP0535481
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| Compound Name |
(1aS,4aS,8aS)-4a-methyl-2-oxo-3,4,5,6,7,8-hexahydro-1aH-naphtho[1,8a-b]oxirene-3-carbonitrile
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| Structure |
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| Formula |
C12H15NO2
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| Molecular Weight |
205.257
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| Canonical SMILES |
C[C@@]12CCCC[C@]11O[C@@H]1C(=O)C(C2)C#N
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| InChI |
InChI=1S/C12H15NO2/c1-11-4-2-3-5-12(11)10(15-12)9(14)8(6-11)7-13/h8,10H,2-6H2,1H3/t8?,10-,11+,12-/m1/s1
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| InChIKey |
FMXZQAROMDQACI-OFLACMMISA-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