General Information of the Compound
| Compound ID |
CP0521130
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| Compound Name |
1-((1S,2S)-2-Phenyl-cyclohexyloxymethyl)-3,5-bis-trifluoromethyl-benzene
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| Structure |
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| Formula |
C21H20F6O
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| Molecular Weight |
402.378
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| Canonical SMILES |
FC(F)(F)c1cc(CO[C@H]2CCCC[C@H]2c2ccccc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H20F6O/c22-20(23,24)16-10-14(11-17(12-16)21(25,26)27)13-28-19-9-5-4-8-18(19)15-6-2-1-3-7-15/h1-3,6-7,10-12,18-19H,4-5,8-9,13H2/t18-,19-/m0/s1
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| InChIKey |
XICQUSHDCDGLOA-OALUTQOASA-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