General Information of the Compound
| Compound ID |
CP0860857
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| Compound Name |
3-({5-[4-(Ethylsulfonyl)phenoxy]-2-(pyridin-2-yl)-1Hbenzimidazol-6-yl}methyl)-1-methylimidazolidine-2,4-dione
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| Structure |
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| Formula |
C25H23N5O5S
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| Molecular Weight |
505.556
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2CN2C(=O)CN(C)C2=O)cc1
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| InChI |
InChI=1S/C25H23N5O5S/c1-3-36(33,34)18-9-7-17(8-10-18)35-22-13-21-20(27-24(28-21)19-6-4-5-11-26-19)12-16(22)14-30-23(31)15-29(2)25(30)32/h4-13H,3,14-15H2,1-2H3,(H,27,28)
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| InChIKey |
XJPUFMSGFDSNKS-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