General Information of the Compound
| Compound ID |
CP0491804
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| Compound Name |
N-[(1-methylimidazol-4-yl)methyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-5-propylpyrazole-4-carboxamide
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| Structure |
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| Formula |
C21H23N7OS
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| Molecular Weight |
421.53
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| Canonical SMILES |
CCCc1c(cnn1-c1ncc(C)c(n1)-c1cccs1)C(=O)NCc1cn(C)cn1
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| InChI |
InChI=1S/C21H23N7OS/c1-4-6-17-16(20(29)22-10-15-12-27(3)13-24-15)11-25-28(17)21-23-9-14(2)19(26-21)18-7-5-8-30-18/h5,7-9,11-13H,4,6,10H2,1-3H3,(H,22,29)
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| InChIKey |
SVVOUQZKBGAKJS-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