General Information of the Compound
| Compound ID |
CP0152979
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| Compound Name |
2-[(4-ethoxyphenyl)methyl]-1-(3-methylbutyl)-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]benzimidazole-5-carboxamide
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| Structure |
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| Formula |
C40H49N5O2
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| Molecular Weight |
631.865
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| Canonical SMILES |
CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)NCCCCCNc2c3CCCCc3nc3ccccc23)cc1
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| InChI |
InChI=1S/C40H49N5O2/c1-4-47-31-19-16-29(17-20-31)26-38-44-36-27-30(18-21-37(36)45(38)25-22-28(2)3)40(46)42-24-11-5-10-23-41-39-32-12-6-8-14-34(32)43-35-15-9-7-13-33(35)39/h6,8,12,14,16-21,27-28H,4-5,7,9-11,13,15,22-26H2,1-3H3,(H,41,43)(H,42,46)
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| InChIKey |
BQKOWNFTPBQPCP-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