General Information of the Compound
| Compound ID |
CP0880282
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| Compound Name |
2-{2-[(1H-1,3-Benzodiazol-2-ylmethyl)amino]ethyl}-N-{[6-(dimethylamino)pyridin-3-yl]methyl}-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C22H25N7OS
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| Molecular Weight |
435.557
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| Canonical SMILES |
CN(C)c1ccc(CNC(=O)c2csc(CCNCc3nc4ccccc4[nH]3)n2)cn1
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| InChI |
InChI=1S/C22H25N7OS/c1-29(2)20-8-7-15(11-24-20)12-25-22(30)18-14-31-21(28-18)9-10-23-13-19-26-16-5-3-4-6-17(16)27-19/h3-8,11,14,23H,9-10,12-13H2,1-2H3,(H,25,30)(H,26,27)
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| InChIKey |
JSOHRUZTCVGMNA-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