General Information of the Compound
| Compound ID |
CP0561838
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| Compound Name |
1-[[5-bromo-1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]spiro[indole-3,4'-oxane]-2-one
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| Structure |
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| Formula |
C24H26BrN3O3
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| Molecular Weight |
484.394
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| Canonical SMILES |
OCCCCn1c(CN2C(=O)C3(CCOCC3)c3ccccc23)nc2cc(Br)ccc12
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| InChI |
InChI=1S/C24H26BrN3O3/c25-17-7-8-21-19(15-17)26-22(27(21)11-3-4-12-29)16-28-20-6-2-1-5-18(20)24(23(28)30)9-13-31-14-10-24/h1-2,5-8,15,29H,3-4,9-14,16H2
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| InChIKey |
XQCSECJOECHGLK-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