General Information of the Compound
| Compound ID |
CP0153901
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| Compound Name |
2-(4-{3-[4-(2-Propylsulfanyl-phenyl)-piperazin-1-yl]-propoxy}-phenyl)-1H-benzoimidazole
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| Structure |
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| Formula |
C29H34N4OS
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| Molecular Weight |
486.685
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| Canonical SMILES |
CCCSc1ccccc1N1CCN(CCCOc2ccc(cc2)-c2nc3ccccc3[nH]2)CC1
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| InChI |
InChI=1S/C29H34N4OS/c1-2-22-35-28-11-6-5-10-27(28)33-19-17-32(18-20-33)16-7-21-34-24-14-12-23(13-15-24)29-30-25-8-3-4-9-26(25)31-29/h3-6,8-15H,2,7,16-22H2,1H3,(H,30,31)
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| InChIKey |
YEBWFZBYQOGEEH-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