General Information of the Compound
| Compound ID |
CP0554255
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| Compound Name |
1-N-benzyl-4-N-(6-methoxy-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide
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| Structure |
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| Formula |
C23H19N3O3S
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| Molecular Weight |
417.49
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| Canonical SMILES |
COc1ccc2nc(NC(=O)c3ccc(cc3)C(=O)NCc3ccccc3)sc2c1
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| InChI |
InChI=1S/C23H19N3O3S/c1-29-18-11-12-19-20(13-18)30-23(25-19)26-22(28)17-9-7-16(8-10-17)21(27)24-14-15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,24,27)(H,25,26,28)
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| InChIKey |
NSBSEDBIIAWIEU-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