General Information of the Compound
| Compound ID |
CP0498759
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| Compound Name |
3-carboxamido coumarin, 49
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| Structure |
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| Formula |
C25H21NO6
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| Molecular Weight |
431.444
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| Canonical SMILES |
COc1cc(NC(=O)c2cc3ccc(OCc4ccccc4)cc3oc2=O)cc(OC)c1
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| InChI |
InChI=1S/C25H21NO6/c1-29-20-11-18(12-21(13-20)30-2)26-24(27)22-10-17-8-9-19(14-23(17)32-25(22)28)31-15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3,(H,26,27)
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| InChIKey |
IOMBASOJMPWCSJ-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