General Information of the Compound
| Compound ID |
CP0314413
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| Compound Name |
4-[(3aR,6aR)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-3-yl]-2-(trifluoromethyl)benzonitrile
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| Structure |
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| Formula |
C14H11F3N2O
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| Molecular Weight |
280.249
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| Canonical SMILES |
FC(F)(F)c1cc(ccc1C#N)C1=NO[C@@H]2CCC[C@H]12
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| InChI |
InChI=1S/C14H11F3N2O/c15-14(16,17)11-6-8(4-5-9(11)7-18)13-10-2-1-3-12(10)20-19-13/h4-6,10,12H,1-3H2/t10-,12+/m0/s1
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| InChIKey |
BRDCBMNKBRNPRG-CMPLNLGQSA-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