General Information of the Compound
| Compound ID |
CP0903760
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| Compound Name |
2-{2-[(1H-1,3-Benzodiazol-2-ylmethyl)amino]ethyl}-N-{[2-(dimethylamino)phenyl]methyl}-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C23H26N6OS
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| Molecular Weight |
434.569
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| Canonical SMILES |
CN(C)c1ccccc1CNC(=O)c1csc(CCNCc2nc3ccccc3[nH]2)n1
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| InChI |
InChI=1S/C23H26N6OS/c1-29(2)20-10-6-3-7-16(20)13-25-23(30)19-15-31-22(28-19)11-12-24-14-21-26-17-8-4-5-9-18(17)27-21/h3-10,15,24H,11-14H2,1-2H3,(H,25,30)(H,26,27)
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| InChIKey |
HKOMMPJSDHNDCW-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