General Information of the Compound
| Compound ID |
CP0433630
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| Compound Name |
2-[3,5-dimethyl-1-(quinolin-2-ylmethyl)pyrazol-4-yl]acetic acid
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| Structure |
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| Formula |
C17H17N3O2
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| Molecular Weight |
295.342
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| Canonical SMILES |
Cc1nn(Cc2ccc3ccccc3n2)c(C)c1CC(O)=O
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| InChI |
InChI=1S/C17H17N3O2/c1-11-15(9-17(21)22)12(2)20(19-11)10-14-8-7-13-5-3-4-6-16(13)18-14/h3-8H,9-10H2,1-2H3,(H,21,22)
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| InChIKey |
ALZAQECZSXNSDU-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