General Information of the Compound
| Compound ID |
CP0547872
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| Compound Name |
5-chloro-1-(2-methylsulfonylethyl)-2-[(3-methylsulfonylindol-1-yl)methyl]benzimidazole
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| Structure |
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| Formula |
C20H20ClN3O4S2
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| Molecular Weight |
465.984
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| Canonical SMILES |
CS(=O)(=O)CCn1c(Cn2cc(c3ccccc23)S(C)(=O)=O)nc2cc(Cl)ccc12
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| InChI |
InChI=1S/C20H20ClN3O4S2/c1-29(25,26)10-9-24-18-8-7-14(21)11-16(18)22-20(24)13-23-12-19(30(2,27)28)15-5-3-4-6-17(15)23/h3-8,11-12H,9-10,13H2,1-2H3
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| InChIKey |
RVWSPSOEJVDDPF-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