General Information of the Compound
| Compound ID |
CP0534542
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| Compound Name |
1-[[5-bromo-1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]-1'-methylsulfonylspiro[indole-3,3'-pyrrolidine]-2-one
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| Structure |
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| Formula |
C24H27BrN4O4S
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| Molecular Weight |
547.475
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| Canonical SMILES |
CS(=O)(=O)N1CCC2(C1)C(=O)N(Cc1nc3cc(Br)ccc3n1CCCCO)c1ccccc21
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| InChI |
InChI=1S/C24H27BrN4O4S/c1-34(32,33)27-12-10-24(16-27)18-6-2-3-7-20(18)29(23(24)31)15-22-26-19-14-17(25)8-9-21(19)28(22)11-4-5-13-30/h2-3,6-9,14,30H,4-5,10-13,15-16H2,1H3
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| InChIKey |
NWCJFFVVKMNHIE-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