General Information of the Compound
| Compound ID |
CP0404838
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| Compound Name |
2-[1-[bis(4-fluorophenyl)methyl]-5-methyl-3-phenylpyrazol-4-yl]acetic acid
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| Structure |
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| Formula |
C25H20F2N2O2
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| Molecular Weight |
418.443
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| Canonical SMILES |
Cc1c(CC(O)=O)c(nn1C(c1ccc(F)cc1)c1ccc(F)cc1)-c1ccccc1
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| InChI |
InChI=1S/C25H20F2N2O2/c1-16-22(15-23(30)31)24(17-5-3-2-4-6-17)28-29(16)25(18-7-11-20(26)12-8-18)19-9-13-21(27)14-10-19/h2-14,25H,15H2,1H3,(H,30,31)
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| InChIKey |
QVVXGKROCYKBKX-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