General Information of the Compound
| Compound ID |
CP0108701
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| Compound Name |
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N'-(4-chloro-3-fluorophenyl)oxamide
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| Structure |
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| Formula |
C16H18ClFN4O2
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| Molecular Weight |
352.797
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| Canonical SMILES |
CC(C)(C)c1cc(CNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)[nH]n1
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| InChI |
InChI=1S/C16H18ClFN4O2/c1-16(2,3)13-7-10(21-22-13)8-19-14(23)15(24)20-9-4-5-11(17)12(18)6-9/h4-7H,8H2,1-3H3,(H,19,23)(H,20,24)(H,21,22)
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| InChIKey |
XTTNJIUZASCMJO-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