General Information of the Compound
| Compound ID |
CP0411829
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| Compound Name |
5-chloro-2-[(5-fluoro-3-methylsulfonylindol-1-yl)methyl]-1-(3-methylsulfonylpropyl)benzimidazole
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| Structure |
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| Formula |
C21H21ClFN3O4S2
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| Molecular Weight |
498.001
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| Canonical SMILES |
CS(=O)(=O)CCCn1c(Cn2cc(c3cc(F)ccc23)S(C)(=O)=O)nc2cc(Cl)ccc12
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| InChI |
InChI=1S/C21H21ClFN3O4S2/c1-31(27,28)9-3-8-26-19-6-4-14(22)10-17(19)24-21(26)13-25-12-20(32(2,29)30)16-11-15(23)5-7-18(16)25/h4-7,10-12H,3,8-9,13H2,1-2H3
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| InChIKey |
YVUXEKGMPUITLX-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