General Information of the Compound
| Compound ID |
CP0523657
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| Compound Name |
2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-1-methylbenzimidazole
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| Structure |
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| Formula |
C20H24N4O4S
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| Molecular Weight |
416.503
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| Canonical SMILES |
COc1ccc(cc1OC)S(=O)(=O)N1CCN(CC1)c1nc2ccccc2n1C
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| InChI |
InChI=1S/C20H24N4O4S/c1-22-17-7-5-4-6-16(17)21-20(22)23-10-12-24(13-11-23)29(25,26)15-8-9-18(27-2)19(14-15)28-3/h4-9,14H,10-13H2,1-3H3
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| InChIKey |
BWPXEDDYHHMKDQ-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