General Information of the Compound
| Compound ID |
CP0532238
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| Compound Name |
3-carboxamido coumarin, 59
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| Structure |
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| Formula |
C26H23NO6
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| Molecular Weight |
445.471
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| Canonical SMILES |
COc1ccc(NC(=O)c2cc3ccc(OCc4ccccc4)c(C)c3oc2=O)cc1OC
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| InChI |
InChI=1S/C26H23NO6/c1-16-21(32-15-17-7-5-4-6-8-17)11-9-18-13-20(26(29)33-24(16)18)25(28)27-19-10-12-22(30-2)23(14-19)31-3/h4-14H,15H2,1-3H3,(H,27,28)
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| InChIKey |
YOIOPTJWYLETKR-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