General Information of the Compound
| Compound ID |
CP0431505
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| Compound Name |
3-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]-3-ethoxypropanoic acid
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| Structure |
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| Formula |
C17H22N2O4
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| Molecular Weight |
318.373
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| Canonical SMILES |
CCOC(CC(O)=O)c1ccc(OCc2cc(C)nn2C)cc1
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| InChI |
InChI=1S/C17H22N2O4/c1-4-22-16(10-17(20)21)13-5-7-15(8-6-13)23-11-14-9-12(2)18-19(14)3/h5-9,16H,4,10-11H2,1-3H3,(H,20,21)
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| InChIKey |
VLHKHZQZPUFOHZ-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