General Information of the Compound
| Compound ID |
CP0253142
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| Compound Name |
5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
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| Structure |
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| Formula |
C21H20N6O2S
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| Molecular Weight |
420.498
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| Canonical SMILES |
COCc1c(cnn1-c1ncc(C)c(n1)-c1cccs1)C(=O)NCc1ccncc1
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| InChI |
InChI=1S/C21H20N6O2S/c1-14-10-24-21(26-19(14)18-4-3-9-30-18)27-17(13-29-2)16(12-25-27)20(28)23-11-15-5-7-22-8-6-15/h3-10,12H,11,13H2,1-2H3,(H,23,28)
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| InChIKey |
BROODMBBHUGCOU-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