General Information of the Compound
| Compound ID |
CP0567408
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| Compound Name |
1'-[[5-bromo-1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]spiro[imidazolidine-5,3'-indole]-2,2',4-trione
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| Structure |
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| Formula |
C22H20BrN5O4
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| Molecular Weight |
498.337
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| Canonical SMILES |
OCCCCn1c(CN2C(=O)C3(NC(=O)NC3=O)c3ccccc23)nc2cc(Br)ccc12
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| InChI |
InChI=1S/C22H20BrN5O4/c23-13-7-8-17-15(11-13)24-18(27(17)9-3-4-10-29)12-28-16-6-2-1-5-14(16)22(20(28)31)19(30)25-21(32)26-22/h1-2,5-8,11,29H,3-4,9-10,12H2,(H2,25,26,30,32)
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| InChIKey |
WLCBHCAUULKEKD-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