General Information of the Compound
| Compound ID |
CP0526499
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| Compound Name |
1-(m-trifluorophenyl)piperazine, 9
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| Structure |
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| Formula |
C23H28F3N3O2
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| Molecular Weight |
435.49
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)C3=C(CCCC3)C2=O)CC1
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| InChI |
InChI=1S/C23H28F3N3O2/c24-23(25,26)17-6-5-7-18(16-17)28-14-12-27(13-15-28)10-3-4-11-29-21(30)19-8-1-2-9-20(19)22(29)31/h5-7,16H,1-4,8-15H2
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| InChIKey |
HTUTXORRNIHWIV-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