General Information of the Compound
| Compound ID |
CP0375578
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| Compound Name |
1-({5-[4-(Ethylsulfonyl)phenoxy]-2-(pyridin-2-yl)-1Hbenzimidazol-6-yl}methyl)pyrrolidine-2,5-dione
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| Structure |
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| Formula |
C25H22N4O5S
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| Molecular Weight |
490.541
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2CN2C(=O)CCC2=O)-c2ccccn2)cc1
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| InChI |
InChI=1S/C25H22N4O5S/c1-2-35(32,33)18-8-6-17(7-9-18)34-22-14-21-20(27-25(28-21)19-5-3-4-12-26-19)13-16(22)15-29-23(30)10-11-24(29)31/h3-9,12-14H,2,10-11,15H2,1H3,(H,27,28)
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| InChIKey |
KFQGCVGSHWAFGW-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