General Information of the Compound
| Compound ID |
CP0912526
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| Compound Name |
2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-(4-nitrophenyl)acetamide
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| Structure |
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| Formula |
C17H13ClN4O3S
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| Molecular Weight |
388.836
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| Canonical SMILES |
O=C(CSc1nccn1-c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1
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| InChI |
InChI=1S/C17H13ClN4O3S/c18-12-1-5-14(6-2-12)21-10-9-19-17(21)26-11-16(23)20-13-3-7-15(8-4-13)22(24)25/h1-10H,11H2,(H,20,23)
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| InChIKey |
XBJIOEWUDKVCQA-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