General Information of the Compound
| Compound ID |
CP0502270
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| Compound Name |
3-carboxamido coumarin, 21
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| Structure |
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| Formula |
C17H13NO5S
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| Molecular Weight |
343.36
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| Canonical SMILES |
CS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
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| InChI |
InChI=1S/C17H13NO5S/c1-24(21,22)13-8-6-12(7-9-13)18-16(19)14-10-11-4-2-3-5-15(11)23-17(14)20/h2-10H,1H3,(H,18,19)
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| InChIKey |
QJBHODZBXYTRMA-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