General Information of the Compound
| Compound ID |
CP0473221
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| Compound Name |
N-[2-[2-(4-chlorophenyl)tetrazol-5-yl]phenyl]-4-nitrobenzamide
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| Structure |
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| Formula |
C20H13ClN6O3
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| Molecular Weight |
420.816
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| Canonical SMILES |
[O-][N+](=O)c1ccc(cc1)C(=O)Nc1ccccc1-c1nnn(n1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H13ClN6O3/c21-14-7-11-15(12-8-14)26-24-19(23-25-26)17-3-1-2-4-18(17)22-20(28)13-5-9-16(10-6-13)27(29)30/h1-12H,(H,22,28)
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| InChIKey |
MKOUUDKLBOFZRM-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