General Information of the Compound
| Compound ID |
CP0390768
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| Compound Name |
1-[[1-(1,3-benzodioxol-5-yl)-2-(6-methylpyridin-2-yl)imidazol-4-yl]methyl]-3-propan-2-ylurea
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| Structure |
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| Formula |
C21H23N5O3
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| Molecular Weight |
393.447
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| Canonical SMILES |
CC(C)NC(=O)NCc1cn(c(n1)-c1cccc(C)n1)-c1ccc2OCOc2c1
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| InChI |
InChI=1S/C21H23N5O3/c1-13(2)23-21(27)22-10-15-11-26(16-7-8-18-19(9-16)29-12-28-18)20(25-15)17-6-4-5-14(3)24-17/h4-9,11,13H,10,12H2,1-3H3,(H2,22,23,27)
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| InChIKey |
OXHFQTGEQYRLKA-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