General Information of the Compound
| Compound ID |
CP0537643
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| Compound Name |
2-chloro-N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-5-nitrobenzamide
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| Structure |
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| Formula |
C22H16ClN3O4
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| Molecular Weight |
421.84
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| Canonical SMILES |
Cc1cc2nc(oc2cc1C)-c1ccc(NC(=O)c2cc(ccc2Cl)[N+]([O-])=O)cc1
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| InChI |
InChI=1S/C22H16ClN3O4/c1-12-9-19-20(10-13(12)2)30-22(25-19)14-3-5-15(6-4-14)24-21(27)17-11-16(26(28)29)7-8-18(17)23/h3-11H,1-2H3,(H,24,27)
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| InChIKey |
WAZYUDWPQWJPCQ-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