General Information of the Compound
| Compound ID |
CP0271049
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| Compound Name |
4-(3a,4,5,6,7,7a-hexahydro-1,2-benzoxazol-3-yl)-2-(trifluoromethyl)benzonitrile
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| Structure |
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| Formula |
C15H13F3N2O
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| Molecular Weight |
294.276
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| Canonical SMILES |
FC(F)(F)c1cc(ccc1C#N)C1=NOC2CCCCC12
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| InChI |
InChI=1S/C15H13F3N2O/c16-15(17,18)12-7-9(5-6-10(12)8-19)14-11-3-1-2-4-13(11)21-20-14/h5-7,11,13H,1-4H2
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| InChIKey |
KWOXBSUGDNAEGP-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