General Information of the Compound
| Compound ID |
CP0487839
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| Compound Name |
5-butyl-N-[(2,3-dimethylimidazol-4-yl)methyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
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| Structure |
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| Formula |
C23H27N7OS
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| Molecular Weight |
449.584
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| Canonical SMILES |
CCCCc1c(cnn1-c1ncc(C)c(n1)-c1cccs1)C(=O)NCc1cnc(C)n1C
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| InChI |
InChI=1S/C23H27N7OS/c1-5-6-8-19-18(22(31)25-13-17-12-24-16(3)29(17)4)14-27-30(19)23-26-11-15(2)21(28-23)20-9-7-10-32-20/h7,9-12,14H,5-6,8,13H2,1-4H3,(H,25,31)
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| InChIKey |
VMIRJRCLRKNZMF-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