General Information of the Compound
| Compound ID |
CP0113156
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| Compound Name |
2-[1-[bis(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-ylpyrazol-4-yl]acetic acid
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| Structure |
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| Formula |
C24H19F2N3O2
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| Molecular Weight |
419.431
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| Canonical SMILES |
Cc1c(CC(O)=O)c(nn1C(c1ccc(F)cc1)c1ccc(F)cc1)-c1ccncc1
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| InChI |
InChI=1S/C24H19F2N3O2/c1-15-21(14-22(30)31)23(16-10-12-27-13-11-16)28-29(15)24(17-2-6-19(25)7-3-17)18-4-8-20(26)9-5-18/h2-13,24H,14H2,1H3,(H,30,31)
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| InChIKey |
FBDDJSBZIRVFTM-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