General Information of the Compound
| Compound ID |
CP0549230
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| Compound Name |
2-[3,5-diethyl-1-(naphthalen-2-ylmethyl)pyrazol-4-yl]acetic acid
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| Structure |
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| Formula |
C20H22N2O2
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| Molecular Weight |
322.408
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| Canonical SMILES |
CCc1nn(Cc2ccc3ccccc3c2)c(CC)c1CC(O)=O
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| InChI |
InChI=1S/C20H22N2O2/c1-3-18-17(12-20(23)24)19(4-2)22(21-18)13-14-9-10-15-7-5-6-8-16(15)11-14/h5-11H,3-4,12-13H2,1-2H3,(H,23,24)
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| InChIKey |
FNSPOFPMEJRIFH-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