General Information of the Compound
| Compound ID |
CP0402418
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| Compound Name |
N-(5-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide
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| Structure |
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| Formula |
C15H11N3O4S
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| Molecular Weight |
329.337
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| Canonical SMILES |
COc1ccc2sc(NC(=O)c3ccc(cc3)[N+]([O-])=O)nc2c1
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| InChI |
InChI=1S/C15H11N3O4S/c1-22-11-6-7-13-12(8-11)16-15(23-13)17-14(19)9-2-4-10(5-3-9)18(20)21/h2-8H,1H3,(H,16,17,19)
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| InChIKey |
QGBKZJBVPXFYGH-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