General Information of the Compound
| Compound ID |
CP0152980
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| Compound Name |
2-[(4-ethoxyphenyl)methyl]-N-ethyl-1-(3-methylbutyl)-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]benzimidazole-5-carboxamide
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| Structure |
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| Formula |
C41H51N5O2
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| Molecular Weight |
645.892
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| Canonical SMILES |
CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)N(CC)CCCCNc2c3CCCCc3nc3ccccc23)cc1
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| InChI |
InChI=1S/C41H51N5O2/c1-5-45(25-12-11-24-42-40-33-13-7-9-15-35(33)43-36-16-10-8-14-34(36)40)41(47)31-19-22-38-37(28-31)44-39(46(38)26-23-29(3)4)27-30-17-20-32(21-18-30)48-6-2/h7,9,13,15,17-22,28-29H,5-6,8,10-12,14,16,23-27H2,1-4H3,(H,42,43)
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| InChIKey |
KVXNLJPGYFESSM-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