General Information of the Compound
| Compound ID |
CP0498757
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-carboxamido coumarin, 30
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H15NO5
|
||||||||||||||||||
| Molecular Weight |
325.32
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H15NO5/c1-22-15-8-7-12(10-16(15)23-2)19-17(20)13-9-11-5-3-4-6-14(11)24-18(13)21/h3-10H,1-2H3,(H,19,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GCJJJYRBURLDEW-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