General Information of the Compound
| Compound ID |
CP0401628
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| Compound Name |
2-[4-(2-Ethoxy-phenyl)-piperazin-1-ylmethyl]-1H-benzoimidazole
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| Structure |
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| Formula |
C20H24N4O
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| Molecular Weight |
336.439
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| Canonical SMILES |
CCOc1ccccc1N1CCN(Cc2nc3ccccc3[nH]2)CC1
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| InChI |
InChI=1S/C20H24N4O/c1-2-25-19-10-6-5-9-18(19)24-13-11-23(12-14-24)15-20-21-16-7-3-4-8-17(16)22-20/h3-10H,2,11-15H2,1H3,(H,21,22)
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| InChIKey |
STLDHJMNWBEBGX-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