General Information of the Compound
| Compound ID |
CP0471581
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| Compound Name |
4-[3-(4-methoxy-1-benzofuran-5-yl)-5-phenylpyrazol-1-yl]benzonitrile
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| Formula |
C25H17N3O2
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| Molecular Weight |
391.43
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| Canonical SMILES |
COc1c(ccc2occc12)-c1cc(-c2ccccc2)n(n1)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C25H17N3O2/c1-29-25-20(11-12-24-21(25)13-14-30-24)22-15-23(18-5-3-2-4-6-18)28(27-22)19-9-7-17(16-26)8-10-19/h2-15H,1H3
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| InChIKey |
MEXURXCEUNSVJA-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
Protein ID: PT02204, Cytochrome P450 1A1
Protein ID: PT02205, Cytochrome P450 1B1