General Information of the Compound
| Compound ID |
CP0509060
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| Compound Name |
ethyl 1-[4-[(2-methoxyphenyl)methylcarbamoyl]phenyl]-3,5-dimethylpyrazole-4-carboxylate
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| Structure |
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| Formula |
C23H25N3O4
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| Molecular Weight |
407.47
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| Canonical SMILES |
CCOC(=O)c1c(C)nn(c1C)-c1ccc(cc1)C(=O)NCc1ccccc1OC
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| InChI |
InChI=1S/C23H25N3O4/c1-5-30-23(28)21-15(2)25-26(16(21)3)19-12-10-17(11-13-19)22(27)24-14-18-8-6-7-9-20(18)29-4/h6-13H,5,14H2,1-4H3,(H,24,27)
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| InChIKey |
YULUYVQUYDRWPL-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