General Information of the Compound
| Compound ID |
CP0012877
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| Compound Name |
N-(2-chlorophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
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| Structure |
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| Formula |
C16H14ClN3O2S
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| Molecular Weight |
347.827
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| Canonical SMILES |
COc1ccc2[nH]c(SCC(=O)Nc3ccccc3Cl)nc2c1
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| InChI |
InChI=1S/C16H14ClN3O2S/c1-22-10-6-7-13-14(8-10)20-16(19-13)23-9-15(21)18-12-5-3-2-4-11(12)17/h2-8H,9H2,1H3,(H,18,21)(H,19,20)
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| InChIKey |
TZKXQUHVSPBVAK-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