General Information of the Compound
| Compound ID |
CP0397096
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| Compound Name |
4-oxochroman-7-yl benzoate
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| Structure |
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| Formula |
C16H12O4
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| Molecular Weight |
268.268
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| Canonical SMILES |
O=C(Oc1ccc2C(=O)CCOc2c1)c1ccccc1
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| InChI |
InChI=1S/C16H12O4/c17-14-8-9-19-15-10-12(6-7-13(14)15)20-16(18)11-4-2-1-3-5-11/h1-7,10H,8-9H2
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| InChIKey |
NBOAWMUWUXJPTE-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: PT01994, Metabotropic glutamate receptor 1
Protein ID: PT01748, Metabotropic glutamate receptor 2
Protein ID: PT00854, Metabotropic glutamate receptor 5
Protein ID: PT02739, Metabotropic glutamate receptor 8