General Information of the Compound
| Compound ID |
CP0423697
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| Compound Name |
3-carboxamido coumarin, 55
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| Structure |
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| Formula |
C25H20FNO6
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| Molecular Weight |
449.434
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| Canonical SMILES |
COc1ccc(NC(=O)c2cc3ccc(OCc4ccc(F)cc4)cc3oc2=O)cc1OC
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| InChI |
InChI=1S/C25H20FNO6/c1-30-21-10-8-18(12-23(21)31-2)27-24(28)20-11-16-5-9-19(13-22(16)33-25(20)29)32-14-15-3-6-17(26)7-4-15/h3-13H,14H2,1-2H3,(H,27,28)
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| InChIKey |
ZKGPIRPNFSOEPA-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