General Information of the Compound
| Compound ID |
CP0941151
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| Compound Name |
2-{2-[(1H-1,3-Benzodiazol-2-ylmethyl)amino]ethyl}-N-methyl-N-phenyl-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C21H21N5OS
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| Molecular Weight |
391.5
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| Canonical SMILES |
CN(C(=O)c1csc(CCNCc2nc3ccccc3[nH]2)n1)c1ccccc1
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| InChI |
InChI=1S/C21H21N5OS/c1-26(15-7-3-2-4-8-15)21(27)18-14-28-20(25-18)11-12-22-13-19-23-16-9-5-6-10-17(16)24-19/h2-10,14,22H,11-13H2,1H3,(H,23,24)
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| InChIKey |
ZGKMFCGVNQZYID-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