General Information of the Compound
| Compound ID |
CP0543192
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| Compound Name |
2-chloro-N-[2-(6-ethylpyridin-3-yl)-1,3-benzoxazol-5-yl]-5-nitrobenzamide
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| Structure |
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| Formula |
C21H15ClN4O4
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| Molecular Weight |
422.828
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| Canonical SMILES |
CCc1ccc(cn1)-c1nc2cc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)ccc2o1
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| InChI |
InChI=1S/C21H15ClN4O4/c1-2-13-4-3-12(11-23-13)21-25-18-9-14(5-8-19(18)30-21)24-20(27)16-10-15(26(28)29)6-7-17(16)22/h3-11H,2H2,1H3,(H,24,27)
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| InChIKey |
DBWUUVVUXKTOAW-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