General Information of the Compound
| Compound ID |
CP0469080
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| Compound Name |
N-[2-[2-(4-ethoxyphenyl)tetrazol-5-yl]phenyl]-2-nitrobenzamide
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| Structure |
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| Formula |
C22H18N6O4
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| Molecular Weight |
430.424
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| Canonical SMILES |
CCOc1ccc(cc1)-n1nnc(n1)-c1ccccc1NC(=O)c1ccccc1[N+]([O-])=O
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| InChI |
InChI=1S/C22H18N6O4/c1-2-32-16-13-11-15(12-14-16)27-25-21(24-26-27)17-7-3-5-9-19(17)23-22(29)18-8-4-6-10-20(18)28(30)31/h3-14H,2H2,1H3,(H,23,29)
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| InChIKey |
SQEIFOFNHSSNEE-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