General Information of the Compound
| Compound ID |
CP0405514
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| Compound Name |
3-(5-(4-(ethylsulfonyl)phenoxy)-2-(pyridin-2-yl)-1H-benzo[d]imidazol-6-yl)-N,N-dimethylpropanamide
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| Structure |
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| Formula |
C25H26N4O4S
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| Molecular Weight |
478.574
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2CCC(=O)N(C)C)-c2ccccn2)cc1
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| InChI |
InChI=1S/C25H26N4O4S/c1-4-34(31,32)19-11-9-18(10-12-19)33-23-16-22-21(15-17(23)8-13-24(30)29(2)3)27-25(28-22)20-7-5-6-14-26-20/h5-7,9-12,14-16H,4,8,13H2,1-3H3,(H,27,28)
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| InChIKey |
ODKWGBYTXDKXFO-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