General Information of the Compound
| Compound ID |
CP0450445
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| Compound Name |
1-[(1-phenylcyclohexyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene
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| Structure |
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| Formula |
C22H22F6O
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| Molecular Weight |
416.405
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| Canonical SMILES |
FC(F)(F)c1cc(COCC2(CCCCC2)c2ccccc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H22F6O/c23-21(24,25)18-11-16(12-19(13-18)22(26,27)28)14-29-15-20(9-5-2-6-10-20)17-7-3-1-4-8-17/h1,3-4,7-8,11-13H,2,5-6,9-10,14-15H2
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| InChIKey |
FFHLOFOSIPUNDM-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
Protein ID: PT00871, Sodium-dependent serotonin transporter
Protein ID: PT01410, Substance-P receptor