General Information of the Compound
| Compound ID |
CP0868950
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| Compound Name |
4-[4-(4H-[1,2,4]Triazol-3-yl)-phenyl]-7-(4-trifluoromethylphenyl)-2-naphthoic acid
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| Structure |
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| Formula |
C26H16F3N3O2
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| Molecular Weight |
459.427
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| Canonical SMILES |
O=C(O)c1cc(-c2ccc(-c3nnc[nH]3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1
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| InChI |
InChI=1S/C26H16F3N3O2/c27-26(28,29)21-8-5-15(6-9-21)18-7-10-22-19(11-18)12-20(25(33)34)13-23(22)16-1-3-17(4-2-16)24-30-14-31-32-24/h1-14H,(H,33,34)(H,30,31,32)
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| InChIKey |
CKCYJMRQTGHYFK-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