General Information of the Compound
| Compound ID |
CP0507645
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| Compound Name |
N-hexyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrimidine-2-carboxamide
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| Structure |
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| Formula |
C23H28F3N5O2
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| Molecular Weight |
463.504
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| Canonical SMILES |
CCCCCCNC(=O)c1ncc(cn1)N1CCN(CC1)C(=O)c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C23H28F3N5O2/c1-2-3-4-7-10-27-21(32)20-28-15-17(16-29-20)30-11-13-31(14-12-30)22(33)18-8-5-6-9-19(18)23(24,25)26/h5-6,8-9,15-16H,2-4,7,10-14H2,1H3,(H,27,32)
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| InChIKey |
OWUBZQNYYJEHEA-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