General Information of the Compound
| Compound ID |
CP0534484
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| Compound Name |
3-[5-(4-tert-butylphenyl)-1-methylpyrazol-3-yl]propanoic acid
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| Formula |
C17H22N2O2
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| Molecular Weight |
286.375
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| Canonical SMILES |
Cn1nc(CCC(O)=O)cc1-c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C17H22N2O2/c1-17(2,3)13-7-5-12(6-8-13)15-11-14(18-19(15)4)9-10-16(20)21/h5-8,11H,9-10H2,1-4H3,(H,20,21)
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| InChIKey |
LVWPPPBZVXPUJD-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