General Information of the Compound
| Compound ID |
CP0435064
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-carboxamido coumarin, 45
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H12F4N2O4
|
||||||||||||||||||
| Molecular Weight |
468.362
|
||||||||||||||||||
| Canonical SMILES |
Fc1c(F)c(C#N)c(F)c(F)c1NC(=O)c1cc2ccc(OCc3ccccc3)cc2oc1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H12F4N2O4/c25-18-16(10-29)19(26)21(28)22(20(18)27)30-23(31)15-8-13-6-7-14(9-17(13)34-24(15)32)33-11-12-4-2-1-3-5-12/h1-9H,11H2,(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GGUDBRNWUWDZQQ-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