General Information of the Compound
| Compound ID |
CP0491958
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| Compound Name |
4-[5-tert-butyl-3-(3,5-difluoro-4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid
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| Formula |
C21H22F2N2O3
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| Molecular Weight |
388.414
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| Canonical SMILES |
COc1c(F)cc(cc1F)C1CC(=NN1c1ccc(cc1)C(O)=O)C(C)(C)C
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| InChI |
InChI=1S/C21H22F2N2O3/c1-21(2,3)18-11-17(13-9-15(22)19(28-4)16(23)10-13)25(24-18)14-7-5-12(6-8-14)20(26)27/h5-10,17H,11H2,1-4H3,(H,26,27)
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| InChIKey |
LFRKVYPVDDJRBC-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