General Information of the Compound
| Compound ID |
CP0547673
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| Compound Name |
(4-pyrimidin-2-ylpiperazin-1-yl)-[4-[2-(trifluoromethyl)phenyl]phenyl]methanone
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| Structure |
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| Formula |
C22H19F3N4O
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| Molecular Weight |
412.415
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| Canonical SMILES |
FC(F)(F)c1ccccc1-c1ccc(cc1)C(=O)N1CCN(CC1)c1ncccn1
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| InChI |
InChI=1S/C22H19F3N4O/c23-22(24,25)19-5-2-1-4-18(19)16-6-8-17(9-7-16)20(30)28-12-14-29(15-13-28)21-26-10-3-11-27-21/h1-11H,12-15H2
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| InChIKey |
DNFIKGVLGPRNPN-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