General Information of the Compound
| Compound ID |
CP0534721
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| Compound Name |
[5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)methyl]pyrrol-3-yl]-piperidin-1-ylmethanone
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| Structure |
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| Formula |
C25H27ClN2O
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| Molecular Weight |
406.957
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| Canonical SMILES |
Cc1ccc(Cn2cc(cc2-c2ccc(Cl)c(C)c2)C(=O)N2CCCCC2)cc1
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| InChI |
InChI=1S/C25H27ClN2O/c1-18-6-8-20(9-7-18)16-28-17-22(25(29)27-12-4-3-5-13-27)15-24(28)21-10-11-23(26)19(2)14-21/h6-11,14-15,17H,3-5,12-13,16H2,1-2H3
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| InChIKey |
RZSULJZVDIXTMO-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