General Information of the Compound
| Compound ID |
CP0220525
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| Compound Name |
4-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazin-3-yl]benzoic acid
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| Structure |
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| Formula |
C23H20F3N3O3
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| Molecular Weight |
443.425
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| Canonical SMILES |
OC(=O)c1ccc(cc1)-c1ccc(nn1)N1CCC(CC1)Oc1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C23H20F3N3O3/c24-23(25,26)18-3-1-2-4-20(18)32-17-11-13-29(14-12-17)21-10-9-19(27-28-21)15-5-7-16(8-6-15)22(30)31/h1-10,17H,11-14H2,(H,30,31)
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| InChIKey |
HRSJBLDLFPWRTI-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