General Information of the Compound
| Compound ID |
CP0396842
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| Compound Name |
ethyl (E)-2-benzoyl-3-[1-(2-piperidin-1-ylethyl)indol-3-yl]prop-2-enoate
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| Structure |
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| Formula |
C27H30N2O3
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| Molecular Weight |
430.548
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| Canonical SMILES |
CCOC(=O)C(=C\c1cn(CCN2CCCCC2)c2ccccc12)\C(=O)c1ccccc1
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| InChI |
InChI=1S/C27H30N2O3/c1-2-32-27(31)24(26(30)21-11-5-3-6-12-21)19-22-20-29(25-14-8-7-13-23(22)25)18-17-28-15-9-4-10-16-28/h3,5-8,11-14,19-20H,2,4,9-10,15-18H2,1H3/b24-19+
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| InChIKey |
DSKDBMUPKFMBDZ-LYBHJNIJSA-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