General Information of the Compound
| Compound ID |
CP0138932
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| Compound Name |
N-(4-tert-butylphenyl)-6-nitro-1H-benzimidazol-2-amine
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| Structure |
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| Formula |
C17H18N4O2
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| Molecular Weight |
310.357
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| Canonical SMILES |
CC(C)(C)c1ccc(Nc2nc3ccc(cc3[nH]2)[N+]([O-])=O)cc1
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| InChI |
InChI=1S/C17H18N4O2/c1-17(2,3)11-4-6-12(7-5-11)18-16-19-14-9-8-13(21(22)23)10-15(14)20-16/h4-10H,1-3H3,(H2,18,19,20)
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| InChIKey |
QLMYDNKGKRQUED-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