General Information of the Compound
| Compound ID |
CP0410744
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| Compound Name |
N-[2-[2-(2-methoxyphenyl)tetrazol-5-yl]phenyl]-4-nitrobenzamide
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| Structure |
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| Formula |
C21H16N6O4
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| Molecular Weight |
416.397
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| Canonical SMILES |
COc1ccccc1-n1nnc(n1)-c1ccccc1NC(=O)c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C21H16N6O4/c1-31-19-9-5-4-8-18(19)26-24-20(23-25-26)16-6-2-3-7-17(16)22-21(28)14-10-12-15(13-11-14)27(29)30/h2-13H,1H3,(H,22,28)
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| InChIKey |
ZRSXVNHPYYFFNS-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