General Information of the Compound
| Compound ID |
CP0547866
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| Compound Name |
5-chloro-2-[(3-cyclopropylsulfonylindol-1-yl)methyl]-1-(3-methylsulfonylpropyl)benzimidazole
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| Structure |
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| Formula |
C23H24ClN3O4S2
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| Molecular Weight |
506.049
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| Canonical SMILES |
CS(=O)(=O)CCCn1c(Cn2cc(c3ccccc23)S(=O)(=O)C2CC2)nc2cc(Cl)ccc12
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| InChI |
InChI=1S/C23H24ClN3O4S2/c1-32(28,29)12-4-11-27-21-10-7-16(24)13-19(21)25-23(27)15-26-14-22(33(30,31)17-8-9-17)18-5-2-3-6-20(18)26/h2-3,5-7,10,13-14,17H,4,8-9,11-12,15H2,1H3
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| InChIKey |
TWOIOVMAIJJOKK-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