General Information of the Compound
| Compound ID |
CP0500274
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| Compound Name |
5-(4-methoxy-3-phenylmethoxyphenyl)-4,4-dimethyl-2-propan-2-ylpyrazol-3-one
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| Structure |
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| Formula |
C22H26N2O3
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| Molecular Weight |
366.461
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| Canonical SMILES |
COc1ccc(cc1OCc1ccccc1)C1=NN(C(C)C)C(=O)C1(C)C
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| InChI |
InChI=1S/C22H26N2O3/c1-15(2)24-21(25)22(3,4)20(23-24)17-11-12-18(26-5)19(13-17)27-14-16-9-7-6-8-10-16/h6-13,15H,14H2,1-5H3
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| InChIKey |
PFWJOJSKZYNKAB-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