General Information of the Compound
| Compound ID |
CP0524965
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| Compound Name |
2-[2-[(3,4-dichlorophenyl)methylsulfanyl]benzimidazol-1-yl]acetic acid
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| Structure |
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| Formula |
C16H12Cl2N2O2S
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| Molecular Weight |
367.257
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| Canonical SMILES |
OC(=O)Cn1c(SCc2ccc(Cl)c(Cl)c2)nc2ccccc12
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| InChI |
InChI=1S/C16H12Cl2N2O2S/c17-11-6-5-10(7-12(11)18)9-23-16-19-13-3-1-2-4-14(13)20(16)8-15(21)22/h1-7H,8-9H2,(H,21,22)
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| InChIKey |
PNEIONPKGKJMIB-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