General Information of the Compound
| Compound ID |
CP0577486
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| Compound Name |
2-chloro-N-[2-(3-fluoro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-5-nitrobenzamide
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| Structure |
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| Formula |
C21H13ClFN3O5
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| Molecular Weight |
441.802
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| Canonical SMILES |
COc1ccc(cc1F)-c1nc2cc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)ccc2o1
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| InChI |
InChI=1S/C21H13ClFN3O5/c1-30-18-6-2-11(8-16(18)23)21-25-17-9-12(3-7-19(17)31-21)24-20(27)14-10-13(26(28)29)4-5-15(14)22/h2-10H,1H3,(H,24,27)
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| InChIKey |
RKMDRKRDEJNITB-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