General Information of the Compound
| Compound ID |
CP0431359
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| Compound Name |
3-Benzyl-6-iodochromen-2-one
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| Structure |
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| Formula |
C16H11IO2
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| Molecular Weight |
362.166
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| Canonical SMILES |
Ic1ccc2oc(=O)c(Cc3ccccc3)cc2c1
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| InChI |
InChI=1S/C16H11IO2/c17-14-6-7-15-12(10-14)9-13(16(18)19-15)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2
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| InChIKey |
QDODXLKHZZZCBV-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: PT00834, Cannabinoid receptor 2
Protein ID: PT05453, G-protein coupled receptor 55