General Information of the Compound
| Compound ID |
CP0224659
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| Compound Name |
2-[5-methyl-1-[(2-phenoxyphenyl)methyl]-3-phenylpyrazol-4-yl]acetic acid
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| Structure |
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| Formula |
C25H22N2O3
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| Molecular Weight |
398.462
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| Canonical SMILES |
Cc1c(CC(O)=O)c(nn1Cc1ccccc1Oc1ccccc1)-c1ccccc1
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| InChI |
InChI=1S/C25H22N2O3/c1-18-22(16-24(28)29)25(19-10-4-2-5-11-19)26-27(18)17-20-12-8-9-15-23(20)30-21-13-6-3-7-14-21/h2-15H,16-17H2,1H3,(H,28,29)
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| InChIKey |
ZFCGJBJHJLQNTG-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