General Information of the Compound
| Compound ID |
CP0413738
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| Compound Name |
5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)methyl]-N-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]pyrrole-3-carboxamide
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| Structure |
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| Formula |
C30H37ClN2O
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| Molecular Weight |
477.092
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| Canonical SMILES |
CC(C)[C@H]1CC[C@H](C)C[C@@H]1NC(=O)c1cc(-c2ccc(Cl)c(C)c2)n(Cc2ccc(C)cc2)c1
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| InChI |
InChI=1S/C30H37ClN2O/c1-19(2)26-12-8-21(4)14-28(26)32-30(34)25-16-29(24-11-13-27(31)22(5)15-24)33(18-25)17-23-9-6-20(3)7-10-23/h6-7,9-11,13,15-16,18-19,21,26,28H,8,12,14,17H2,1-5H3,(H,32,34)/t21-,26+,28-/m0/s1
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| InChIKey |
UXOFABYNPQNTAF-OEQAEZTDSA-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