General Information of the Compound
| Compound ID |
CP0396592
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| Compound Name |
3-[(3-chlorophenyl)methyl]-5-hydroxy-7-pentylchromen-2-one
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| Structure |
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| Formula |
C21H21ClO3
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| Molecular Weight |
356.849
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| Canonical SMILES |
CCCCCc1cc(O)c2cc(Cc3cccc(Cl)c3)c(=O)oc2c1
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| InChI |
InChI=1S/C21H21ClO3/c1-2-3-4-6-15-11-19(23)18-13-16(21(24)25-20(18)12-15)9-14-7-5-8-17(22)10-14/h5,7-8,10-13,23H,2-4,6,9H2,1H3
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| InChIKey |
LIKARPKWINWYAG-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
Protein ID: PT05453, G-protein coupled receptor 55