General Information of the Compound
| Compound ID |
CP0472924
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| Compound Name |
1-[[5-bromo-1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]-1',1'-dioxospiro[indole-3,3'-thietane]-2-one
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| Structure |
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| Formula |
C22H22BrN3O4S
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| Molecular Weight |
504.406
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| Canonical SMILES |
OCCCCn1c(CN2C(=O)C3(CS(=O)(=O)C3)c3ccccc23)nc2cc(Br)ccc12
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| InChI |
InChI=1S/C22H22BrN3O4S/c23-15-7-8-19-17(11-15)24-20(25(19)9-3-4-10-27)12-26-18-6-2-1-5-16(18)22(21(26)28)13-31(29,30)14-22/h1-2,5-8,11,27H,3-4,9-10,12-14H2
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| InChIKey |
LOCOYYNHSZFUSI-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