General Information of the Compound
| Compound ID |
CP0095007
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| Compound Name |
4-(1,3-benzodioxol-5-yl)-5-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-1H-imidazole-2-carboxamide
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| Structure |
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| Formula |
C21H16N4O3S
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| Molecular Weight |
404.451
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| Canonical SMILES |
Cc1csc(n1)-c1nc([nH]c1-c1ccc2OCOc2c1)C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C21H16N4O3S/c1-12-10-29-21(22-12)18-17(13-7-8-15-16(9-13)28-11-27-15)24-19(25-18)20(26)23-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,23,26)(H,24,25)
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| InChIKey |
NYIFAPSURVTUBT-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