General Information of the Compound
| Compound ID |
CP0395120
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| Compound Name |
3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-tetrahydro-pyran
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| Structure |
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| Formula |
C20H18F6O2
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| Molecular Weight |
404.35
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| Canonical SMILES |
FC(F)(F)c1cc(CO[C@H]2CCCO[C@H]2c2ccccc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C20H18F6O2/c21-19(22,23)15-9-13(10-16(11-15)20(24,25)26)12-28-17-7-4-8-27-18(17)14-5-2-1-3-6-14/h1-3,5-6,9-11,17-18H,4,7-8,12H2/t17-,18-/m0/s1
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| InChIKey |
KVHVYHNXKNBRLU-ROUUACIJSA-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