General Information of the Compound
| Compound ID |
CP0460383
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| Compound Name |
4-(3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl)-1-(2-methoxyphenyl)piperazin-2-one
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| Structure |
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| Formula |
C21H19ClN4O3
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| Molecular Weight |
410.861
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| Canonical SMILES |
COc1ccccc1N1CCN(CC1=O)C(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H19ClN4O3/c1-29-19-5-3-2-4-18(19)26-11-10-25(13-20(26)27)21(28)17-12-16(23-24-17)14-6-8-15(22)9-7-14/h2-9,12H,10-11,13H2,1H3,(H,23,24)
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| InChIKey |
WVGDGYVOBAQJGF-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