General Information of the Compound
| Compound ID |
CP0396474
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| Compound Name |
3-[(3-chlorophenyl)methyl]-5-methoxy-7-pentylchromen-2-one
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| Structure |
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| Formula |
C22H23ClO3
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| Molecular Weight |
370.876
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| Canonical SMILES |
CCCCCc1cc(OC)c2cc(Cc3cccc(Cl)c3)c(=O)oc2c1
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| InChI |
InChI=1S/C22H23ClO3/c1-3-4-5-7-16-12-20(25-2)19-14-17(22(24)26-21(19)13-16)10-15-8-6-9-18(23)11-15/h6,8-9,11-14H,3-5,7,10H2,1-2H3
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| InChIKey |
LRUUZTQRZXANAR-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