General Information of the Compound
| Compound ID |
CP0402530
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| Compound Name |
1-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(3-chlorophenyl)ethyl]piperazine
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| Structure |
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| Formula |
C21H21ClF6N2O
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| Molecular Weight |
466.853
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| Canonical SMILES |
FC(F)(F)c1cc(COCC(N2CCNCC2)c2cccc(Cl)c2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H21ClF6N2O/c22-18-3-1-2-15(10-18)19(30-6-4-29-5-7-30)13-31-12-14-8-16(20(23,24)25)11-17(9-14)21(26,27)28/h1-3,8-11,19,29H,4-7,12-13H2
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| InChIKey |
XPQVVEFXDFZVJS-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