General Information of the Compound
| Compound ID |
CP0455243
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| Compound Name |
2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]imidazole-4-carboxamide
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| Structure |
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| Formula |
C35H35Cl2N5O
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| Molecular Weight |
612.605
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| Canonical SMILES |
CCc1c(nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1)C(=O)NCCCCNc1c2CCCCc2nc2ccccc12
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| InChI |
InChI=1S/C35H35Cl2N5O/c1-2-31-33(41-34(25-11-3-6-14-28(25)37)42(31)24-19-17-23(36)18-20-24)35(43)39-22-10-9-21-38-32-26-12-4-7-15-29(26)40-30-16-8-5-13-27(30)32/h3-4,6-7,11-12,14-15,17-20H,2,5,8-10,13,16,21-22H2,1H3,(H,38,40)(H,39,43)
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| InChIKey |
STWYWUGMZLRNAY-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
Protein ID: PT00820, Acetylcholinesterase
Protein ID: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2