General Information of the Compound
| Compound ID |
CP0322876
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| Compound Name |
4-[4-(1,3-benzodioxol-5-yl)-5-(4-ethyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]benzamide
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| Structure |
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| Formula |
C22H18N4O3S
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| Molecular Weight |
418.478
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| Canonical SMILES |
CCc1csc(n1)-c1[nH]c(nc1-c1ccc2OCOc2c1)-c1ccc(cc1)C(N)=O
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| InChI |
InChI=1S/C22H18N4O3S/c1-2-15-10-30-22(24-15)19-18(14-7-8-16-17(9-14)29-11-28-16)25-21(26-19)13-5-3-12(4-6-13)20(23)27/h3-10H,2,11H2,1H3,(H2,23,27)(H,25,26)
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| InChIKey |
YZZDLRWQRIVRIV-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