General Information of the Compound
| Compound ID |
CP0509061
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| Compound Name |
ethyl 1-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-3,5-dimethylpyrazole-4-carboxylate
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| Structure |
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| Formula |
C21H21ClN4O3
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| Molecular Weight |
412.877
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| Canonical SMILES |
CCOC(=O)c1c(C)nn(c1C)-c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C21H21ClN4O3/c1-4-29-20(27)19-13(2)25-26(14(19)3)18-11-9-17(10-12-18)24-21(28)23-16-7-5-15(22)6-8-16/h5-12H,4H2,1-3H3,(H2,23,24,28)
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| InChIKey |
HKTJXWLLOBZKJA-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