General Information of the Compound
| Compound ID |
CP0238599
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| Compound Name |
2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(4-piperidin-1-ylbutyl)benzimidazole-5-carboxamide
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| Structure |
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| Formula |
C30H42N4O2
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| Molecular Weight |
490.692
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| Canonical SMILES |
CCOc1ccc(Cc2nc3cc(ccc3n2CCCCN2CCCCC2)C(=O)N(CC)CC)cc1
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| InChI |
InChI=1S/C30H42N4O2/c1-4-33(5-2)30(35)25-14-17-28-27(23-25)31-29(22-24-12-15-26(16-13-24)36-6-3)34(28)21-11-10-20-32-18-8-7-9-19-32/h12-17,23H,4-11,18-22H2,1-3H3
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| InChIKey |
GBAQAKAXZOOHGW-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