General Information of the Compound
| Compound ID |
CP0423695
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| Compound Name |
3-carboxamido coumarin, 32
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| Structure |
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| Formula |
C18H15NO5
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| Molecular Weight |
325.32
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| Canonical SMILES |
COc1cc(NC(=O)c2cc3ccccc3oc2=O)cc(OC)c1
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| InChI |
InChI=1S/C18H15NO5/c1-22-13-8-12(9-14(10-13)23-2)19-17(20)15-7-11-5-3-4-6-16(11)24-18(15)21/h3-10H,1-2H3,(H,19,20)
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| InChIKey |
TWWGQNUHZRYDKK-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