General Information of the Compound
| Compound ID |
CP0410741
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| Compound Name |
4-nitro-N-[2-[2-(4-propylphenyl)tetrazol-5-yl]phenyl]benzamide
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| Structure |
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| Formula |
C23H20N6O3
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| Molecular Weight |
428.452
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| Canonical SMILES |
CCCc1ccc(cc1)-n1nnc(n1)-c1ccccc1NC(=O)c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C23H20N6O3/c1-2-5-16-8-12-18(13-9-16)28-26-22(25-27-28)20-6-3-4-7-21(20)24-23(30)17-10-14-19(15-11-17)29(31)32/h3-4,6-15H,2,5H2,1H3,(H,24,30)
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| InChIKey |
ZGHKGCZTOQVKBS-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