General Information of the Compound
| Compound ID |
CP0430706
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| Compound Name |
N-ethyl-N-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]acetamide
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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 |
CCN(Cc1cc2nc([nH]c2cc1Oc1ccc(cc1)S(=O)(=O)CC)-c1ccccn1)C(C)=O
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| InChI |
InChI=1S/C25H26N4O4S/c1-4-29(17(3)30)16-18-14-22-23(28-25(27-22)21-8-6-7-13-26-21)15-24(18)33-19-9-11-20(12-10-19)34(31,32)5-2/h6-15H,4-5,16H2,1-3H3,(H,27,28)
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| InChIKey |
KTHKNAAVLHKTSD-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