General Information of the Compound
| Compound ID |
CP0811076
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| Compound Name |
1-Isopropyl-6-(3-nitro-phenyl)-1,3-dihydro-benzoimidazol-2-one
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| Structure |
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| Formula |
C16H15N3O3
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| Molecular Weight |
297.314
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| Canonical SMILES |
CC(C)n1c(O)nc2ccc(-c3cccc([N+](=O)[O-])c3)cc21
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| InChI |
InChI=1S/C16H15N3O3/c1-10(2)18-15-9-12(6-7-14(15)17-16(18)20)11-4-3-5-13(8-11)19(21)22/h3-10H,1-2H3,(H,17,20)
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| InChIKey |
LSMURAIEDPUFAG-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