General Information of the Compound
| Compound ID |
CP0459730
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| Compound Name |
3-carboxamido coumarin, 54
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| Structure |
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| Formula |
C24H17ClFNO4
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| Molecular Weight |
437.854
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| Canonical SMILES |
Cc1cccc(Cl)c1NC(=O)c1cc2ccc(OCc3ccc(F)cc3)cc2oc1=O
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| InChI |
InChI=1S/C24H17ClFNO4/c1-14-3-2-4-20(25)22(14)27-23(28)19-11-16-7-10-18(12-21(16)31-24(19)29)30-13-15-5-8-17(26)9-6-15/h2-12H,13H2,1H3,(H,27,28)
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| InChIKey |
KVTOGESHVLOYQH-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