General Information of the Compound
| Compound ID |
CP0152982
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| Compound Name |
2-[(4-ethoxyphenyl)methyl]-1-(3-methylbutyl)-N-[2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyldisulfanyl]ethyl]benzimidazole-5-carboxamide
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| Structure |
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| Formula |
C39H47N5O2S2
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| Molecular Weight |
681.972
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| Canonical SMILES |
CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)NCCSSCCNc2c3CCCCc3nc3ccccc23)cc1
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| InChI |
InChI=1S/C39H47N5O2S2/c1-4-46-30-16-13-28(14-17-30)25-37-43-35-26-29(15-18-36(35)44(37)22-19-27(2)3)39(45)41-21-24-48-47-23-20-40-38-31-9-5-7-11-33(31)42-34-12-8-6-10-32(34)38/h5,7,9,11,13-18,26-27H,4,6,8,10,12,19-25H2,1-3H3,(H,40,42)(H,41,45)
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| InChIKey |
GJNQPCWPXQPEOZ-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