General Information of the Compound
| Compound ID |
CP0479848
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| Compound Name |
4-(3-Trifluoromethyl-pyridin-2-yl)-piperazine-1-carboxylic acid (4-phenoxy-phenyl)-amide
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| Structure |
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| Formula |
C23H21F3N4O2
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| Molecular Weight |
442.441
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| Canonical SMILES |
FC(F)(F)c1cccnc1N1CCN(CC1)C(=O)Nc1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C23H21F3N4O2/c24-23(25,26)20-7-4-12-27-21(20)29-13-15-30(16-14-29)22(31)28-17-8-10-19(11-9-17)32-18-5-2-1-3-6-18/h1-12H,13-16H2,(H,28,31)
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| InChIKey |
AKGNAODIGGNTEA-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