General Information of the Compound
| Compound ID |
CP0144571
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| Compound Name |
(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
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| Structure |
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| Formula |
C21H25F3N2O3
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| Molecular Weight |
410.436
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| Canonical SMILES |
COc1ccccc1N1CCN(C[C@@H](O)COc2ccc(cc2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C21H25F3N2O3/c1-28-20-5-3-2-4-19(20)26-12-10-25(11-13-26)14-17(27)15-29-18-8-6-16(7-9-18)21(22,23)24/h2-9,17,27H,10-15H2,1H3/t17-/m1/s1
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| InChIKey |
DBIRJENRFAMYEC-QGZVFWFLSA-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