General Information of the Compound
| Compound ID |
CP0423694
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-carboxamido coumarin, 52
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H11F5N2O4
|
||||||||||||||||||
| Molecular Weight |
486.352
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(COc2ccc3cc(C(=O)Nc4c(F)c(F)c(C#N)c(F)c4F)c(=O)oc3c2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H11F5N2O4/c25-13-4-1-11(2-5-13)10-34-14-6-3-12-7-15(24(33)35-17(12)8-14)23(32)31-22-20(28)18(26)16(9-30)19(27)21(22)29/h1-8H,10H2,(H,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
TWDNLHLTPOULJC-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00918, Amine oxidase [flavin-containing] A
Protein ID: PT01362, Amine oxidase [flavin-containing] B