General Information of the Compound
| Compound ID |
CP0546206
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| Compound Name |
2-chloro-N-[2-(5-methylpyridin-3-yl)-1,3-benzoxazol-5-yl]-5-nitrobenzamide
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| Structure |
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| Formula |
C20H13ClN4O4
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| Molecular Weight |
408.801
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| Canonical SMILES |
Cc1cncc(c1)-c1nc2cc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)ccc2o1
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| InChI |
InChI=1S/C20H13ClN4O4/c1-11-6-12(10-22-9-11)20-24-17-7-13(2-5-18(17)29-20)23-19(26)15-8-14(25(27)28)3-4-16(15)21/h2-10H,1H3,(H,23,26)
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| InChIKey |
KKPYIJHVCRZNMX-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