General Information of the Compound
| Compound ID |
CP0894067
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-(3-(trifluoromethyl)phenylcarbamoyl)phenyl)benzo[d][1,3]dioxole-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H15F3N2O4
|
||||||||||||||||||
| Molecular Weight |
428.366
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCO2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H15F3N2O4/c23-22(24,25)14-4-3-5-15(11-14)26-21(29)16-6-1-2-7-17(16)27-20(28)13-8-9-18-19(10-13)31-12-30-18/h1-11H,12H2,(H,26,29)(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RMUKVFHLHUDQDS-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: PT05999, Relaxin receptor 1
Protein ID: PT06657, Relaxin receptor 2