General Information of the Compound
| Compound ID |
CP0064315
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| Compound Name |
2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl]phenyl]acetic acid
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| Synonyms |
2-(4-((2-(3-Chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl)amino)phenyl)acetamide
BPN14770
KRRGWHSEDYQKDQ-UHFFFAOYSA-N
SCHEMBL15659026
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| Structure |
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| Formula |
C21H15ClF3NO2
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| Molecular Weight |
405.803
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| Canonical SMILES |
OC(=O)Cc1ccc(Cc2cc(nc(c2)C(F)(F)F)-c2cccc(Cl)c2)cc1
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| InChI |
InChI=1S/C21H15ClF3NO2/c22-17-3-1-2-16(12-17)18-9-15(10-19(26-18)21(23,24)25)8-13-4-6-14(7-5-13)11-20(27)28/h1-7,9-10,12H,8,11H2,(H,27,28)
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| InChIKey |
LTSUMTMGJHPGFX-UHFFFAOYSA-N
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| CAS |
1606974-33-7
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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
Protein ID: PT01305, 3',5'-cyclic-AMP phosphodiesterase 4B
Protein ID: PT01538, 3',5'-cyclic-AMP phosphodiesterase 4D
Clinical Information about the Compound