General Information of the Compound
| Compound ID |
CP0205845
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| Compound Name |
(4-propan-2-ylphenyl) 3-[5-(4-methylphenyl)-1-phenylpyrazol-3-yl]propanoate
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| Structure |
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| Formula |
C28H28N2O2
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| Molecular Weight |
424.544
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| Canonical SMILES |
CC(C)c1ccc(OC(=O)CCc2cc(-c3ccc(C)cc3)n(n2)-c2ccccc2)cc1
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| InChI |
InChI=1S/C28H28N2O2/c1-20(2)22-13-16-26(17-14-22)32-28(31)18-15-24-19-27(23-11-9-21(3)10-12-23)30(29-24)25-7-5-4-6-8-25/h4-14,16-17,19-20H,15,18H2,1-3H3
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| InChIKey |
HVEDKDPYKOZMSP-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