General Information of the Compound
| Compound ID |
CP0498357
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| Compound Name |
bis[[3-(trifluoromethyl)phenyl]methyl] 5-(hydroxymethyl)benzene-1,3-dicarboxylate
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| Structure |
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| Formula |
C25H18F6O5
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| Molecular Weight |
512.402
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| Canonical SMILES |
OCc1cc(cc(c1)C(=O)OCc1cccc(c1)C(F)(F)F)C(=O)OCc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C25H18F6O5/c26-24(27,28)20-5-1-3-15(9-20)13-35-22(33)18-7-17(12-32)8-19(11-18)23(34)36-14-16-4-2-6-21(10-16)25(29,30)31/h1-11,32H,12-14H2
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| InChIKey |
OLYSKMGKJANIPC-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
Protein ID: PT00858, Protein kinase C alpha type
Protein ID: PT01364, Protein kinase C delta type