General Information of the Compound
| Compound ID |
CP0565007
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| Compound Name |
N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide
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| Structure |
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| Formula |
C22H17N3O6
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| Molecular Weight |
419.393
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| Canonical SMILES |
COc1ccc(cc1OC)-c1nc2cc(NC(=O)c3ccc(cc3)[N+]([O-])=O)ccc2o1
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| InChI |
InChI=1S/C22H17N3O6/c1-29-19-9-5-14(11-20(19)30-2)22-24-17-12-15(6-10-18(17)31-22)23-21(26)13-3-7-16(8-4-13)25(27)28/h3-12H,1-2H3,(H,23,26)
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| InChIKey |
XUYCKWMMFQCVBU-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