General Information of the Compound
| Compound ID |
CP0459221
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| Compound Name |
2,5,6-Trichloro-1-(4-nitro-benzyl)-1H-benzoimidazole
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| Structure |
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| Formula |
C14H8Cl3N3O2
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| Molecular Weight |
356.596
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| Canonical SMILES |
[O-][N+](=O)c1ccc(Cn2c(Cl)nc3cc(Cl)c(Cl)cc23)cc1
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| InChI |
InChI=1S/C14H8Cl3N3O2/c15-10-5-12-13(6-11(10)16)19(14(17)18-12)7-8-1-3-9(4-2-8)20(21)22/h1-6H,7H2
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| InChIKey |
AVCDEWJXZNTXSR-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