General Information of the Compound
| Compound ID |
CP0423696
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| Compound Name |
3-carboxamido coumarin, 43
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| Structure |
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| Formula |
C21H21NO4
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| Molecular Weight |
351.402
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| Canonical SMILES |
CC(C)CNC(=O)c1cc2ccc(OCc3ccccc3)cc2oc1=O
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| InChI |
InChI=1S/C21H21NO4/c1-14(2)12-22-20(23)18-10-16-8-9-17(11-19(16)26-21(18)24)25-13-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,22,23)
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| InChIKey |
BHLPOOVJFYXSFF-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: PT00918, Amine oxidase [flavin-containing] A
Protein ID: PT01362, Amine oxidase [flavin-containing] B