General Information of the Compound
| Compound ID |
CP0487864
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| Compound Name |
1-[[4-(propanoylamino)pyrazol-1-yl]methyl]-N-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
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| Formula |
C18H17F3N6O2
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| Molecular Weight |
406.368
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| Canonical SMILES |
CCC(=O)Nc1cnn(Cn2ccc(n2)C(=O)Nc2ccc(cc2)C(F)(F)F)c1
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| InChI |
InChI=1S/C18H17F3N6O2/c1-2-16(28)23-14-9-22-27(10-14)11-26-8-7-15(25-26)17(29)24-13-5-3-12(4-6-13)18(19,20)21/h3-10H,2,11H2,1H3,(H,23,28)(H,24,29)
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| InChIKey |
RCWCTOLAXBIRBI-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