General Information of the Compound
| Compound ID |
CP0477282
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| Compound Name |
N-[[4-(2,1,3-benzothiadiazol-5-yl)-5-(6-methylpyridin-2-yl)-1H-imidazol-2-yl]methyl]-3-methylaniline
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| Structure |
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| Formula |
C23H20N6S
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| Molecular Weight |
412.522
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| Canonical SMILES |
Cc1cccc(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3nsnc3c2)c1
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| InChI |
InChI=1S/C23H20N6S/c1-14-5-3-7-17(11-14)24-13-21-26-22(16-9-10-18-20(12-16)29-30-28-18)23(27-21)19-8-4-6-15(2)25-19/h3-12,24H,13H2,1-2H3,(H,26,27)
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| InChIKey |
ISSKIYXWEWUJFS-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