General Information of the Compound
| Compound ID |
CP0489369
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| Compound Name |
5-butyl-N-[(3-methylimidazol-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 |
C22H25N7OS
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| Molecular Weight |
435.557
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| Canonical SMILES |
CCCCc1c(cnn1-c1ncc(C)c(n1)-c1cccs1)C(=O)NCc1cncn1C
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| InChI |
InChI=1S/C22H25N7OS/c1-4-5-7-18-17(21(30)24-12-16-11-23-14-28(16)3)13-26-29(18)22-25-10-15(2)20(27-22)19-8-6-9-31-19/h6,8-11,13-14H,4-5,7,12H2,1-3H3,(H,24,30)
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| InChIKey |
CAGIDUWBNIPEGV-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