General Information of the Compound
| Compound ID |
CP0543191
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| Compound Name |
2-chloro-N-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]-5-nitrobenzamide
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| Structure |
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| Formula |
C21H14ClN3O4
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| Molecular Weight |
407.813
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| Canonical SMILES |
Cc1ccc(cc1)-c1nc2ccc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)cc2o1
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| InChI |
InChI=1S/C21H14ClN3O4/c1-12-2-4-13(5-3-12)21-24-18-9-6-14(10-19(18)29-21)23-20(26)16-11-15(25(27)28)7-8-17(16)22/h2-11H,1H3,(H,23,26)
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| InChIKey |
KMRUISWZUWQWLJ-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