General Information of the Compound
| Compound ID |
CP0428948
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| Compound Name |
1-({5-[4-(Ethylsulfonyl)phenoxy]-2-(pyridin-2-yl)-1Hbenzimidazol-6-yl}methyl)pyrrolidin-2-one
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| Structure |
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| Formula |
C25H24N4O4S
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| Molecular Weight |
476.558
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2CN2CCCC2=O)-c2ccccn2)cc1
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| InChI |
InChI=1S/C25H24N4O4S/c1-2-34(31,32)19-10-8-18(9-11-19)33-23-15-22-21(14-17(23)16-29-13-5-7-24(29)30)27-25(28-22)20-6-3-4-12-26-20/h3-4,6,8-12,14-15H,2,5,7,13,16H2,1H3,(H,27,28)
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| InChIKey |
AOPNJTOVUCKWEL-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