General Information of the Compound
| Compound ID |
CP0398204
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| Compound Name |
4-butyl-N-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxamide
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| Structure |
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| Formula |
C14H15ClFN3O
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| Molecular Weight |
295.745
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| Canonical SMILES |
CCCCc1c[nH]nc1C(=O)Nc1ccc(F)cc1Cl
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| InChI |
InChI=1S/C14H15ClFN3O/c1-2-3-4-9-8-17-19-13(9)14(20)18-12-6-5-10(16)7-11(12)15/h5-8H,2-4H2,1H3,(H,17,19)(H,18,20)
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| InChIKey |
MEIXXEMIWWLBSV-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