General Information of the Compound
| Compound ID |
CP0441149
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| Compound Name |
5-(4-chlorophenyl)-4-cyano-1-(2,4-dichlorophenyl)-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C22H18Cl3N5O
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| Molecular Weight |
474.779
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| Canonical SMILES |
Clc1ccc(cc1)-c1c(C#N)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
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| InChI |
InChI=1S/C22H18Cl3N5O/c23-15-6-4-14(5-7-15)21-17(13-26)20(22(31)28-29-10-2-1-3-11-29)27-30(21)19-9-8-16(24)12-18(19)25/h4-9,12H,1-3,10-11H2,(H,28,31)
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| InChIKey |
OTEXJGPPDFKPIG-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