General Information of the Compound
| Compound ID |
CP0335422
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| Compound Name |
3-[4-fluoro-3-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-1,2-benzoxazole
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| Structure |
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| Formula |
C14H13F4NO
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| Molecular Weight |
287.256
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| Canonical SMILES |
Fc1ccc(cc1C(F)(F)F)C1=NOC2CCCCC12
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| InChI |
InChI=1S/C14H13F4NO/c15-11-6-5-8(7-10(11)14(16,17)18)13-9-3-1-2-4-12(9)20-19-13/h5-7,9,12H,1-4H2
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| InChIKey |
DAJKCHRFTLWSQQ-UHFFFAOYSA-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