General Information of the Compound
| Compound ID |
CP0448198
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| Compound Name |
1-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(3-propan-2-ylphenyl)ethyl]piperazine
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| Structure |
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| Formula |
C24H28F6N2O
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| Molecular Weight |
474.489
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| Canonical SMILES |
CC(C)c1cccc(c1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1
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| InChI |
InChI=1S/C24H28F6N2O/c1-16(2)18-4-3-5-19(12-18)22(32-8-6-31-7-9-32)15-33-14-17-10-20(23(25,26)27)13-21(11-17)24(28,29)30/h3-5,10-13,16,22,31H,6-9,14-15H2,1-2H3
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| InChIKey |
PKAFUPCGJKCHLU-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