General Information of the Compound
| Compound ID |
CP0455893
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| Compound Name |
2-((6-chlorobenzo[d][1,3]dioxol-5-yl)methylthio)-6-methoxy-1H-benzo[d]imidazole
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| Structure |
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| Formula |
C16H13ClN2O3S
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| Molecular Weight |
348.811
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| Canonical SMILES |
COc1ccc2nc(SCc3cc4OCOc4cc3Cl)[nH]c2c1
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| InChI |
InChI=1S/C16H13ClN2O3S/c1-20-10-2-3-12-13(5-10)19-16(18-12)23-7-9-4-14-15(6-11(9)17)22-8-21-14/h2-6H,7-8H2,1H3,(H,18,19)
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| InChIKey |
PUXPVEFKOHVJMX-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