General Information of the Compound
| Compound ID |
CP0407096
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| Compound Name |
7-[benzyl(methyl)amino]-2-oxochromene-3-carboxylic acid
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| Structure |
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| Formula |
C18H15NO4
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| Molecular Weight |
309.321
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| Canonical SMILES |
CN(Cc1ccccc1)c1ccc2cc(C(O)=O)c(=O)oc2c1
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| InChI |
InChI=1S/C18H15NO4/c1-19(11-12-5-3-2-4-6-12)14-8-7-13-9-15(17(20)21)18(22)23-16(13)10-14/h2-10H,11H2,1H3,(H,20,21)
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| InChIKey |
XTKDQPFUOFAMRL-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