General Information of the Compound
| Compound ID |
CP0439964
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| Compound Name |
2-chloranyl-N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]ethanamide
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| Structure |
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| Formula |
C14H14Cl3N3O
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| Molecular Weight |
346.645
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| Canonical SMILES |
Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)CCl
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| InChI |
InChI=1S/C14H14Cl3N3O/c1-8-14(18-13(21)6-15)9(2)20(19-8)7-10-3-4-11(16)5-12(10)17/h3-5H,6-7H2,1-2H3,(H,18,21)
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| InChIKey |
FZASWUJFYQIWBM-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT01214, Tyrosine-protein kinase JAK2