General Information of the Compound
| Compound ID |
CP0416942
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| Compound Name |
N-(azepan-1-yl)-5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)methyl]pyrrole-3-carboxamide
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| Structure |
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| Formula |
C26H30ClN3O
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| Molecular Weight |
435.999
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| Canonical SMILES |
Cc1ccc(Cn2cc(cc2-c2ccc(Cl)c(C)c2)C(=O)NN2CCCCCC2)cc1
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| InChI |
InChI=1S/C26H30ClN3O/c1-19-7-9-21(10-8-19)17-29-18-23(26(31)28-30-13-5-3-4-6-14-30)16-25(29)22-11-12-24(27)20(2)15-22/h7-12,15-16,18H,3-6,13-14,17H2,1-2H3,(H,28,31)
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| InChIKey |
MSMZCNLUFBKVAO-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2