General Information of the Compound
| Compound ID |
CP0858813
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| Compound Name |
(E)-7-Naphthalen-2-yl-5-oxohept-6-enoic acid(2-hydroxy-1(R)-methylethanolamide
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| Structure |
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| Formula |
C20H23NO3
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| Molecular Weight |
325.408
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| Canonical SMILES |
C[C@@H](CO)NC(=O)CCCC(=O)/C=C/c1ccc2ccccc2c1
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| InChI |
InChI=1S/C20H23NO3/c1-15(14-22)21-20(24)8-4-7-19(23)12-10-16-9-11-17-5-2-3-6-18(17)13-16/h2-3,5-6,9-13,15,22H,4,7-8,14H2,1H3,(H,21,24)/b12-10+/t15-/m0/s1
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| InChIKey |
MQJXJQTUPITOHG-PABFRNLHSA-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