General Information of the Compound
| Compound ID |
CP0387770
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-{[4-(3-Phenylureido)phenylamino]methyl}-benzoic acid methyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H21N3O3
|
||||||||||||||||||
| Molecular Weight |
375.428
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)c1ccc(CNc2ccc(NC(=O)Nc3ccccc3)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21N3O3/c1-28-21(26)17-9-7-16(8-10-17)15-23-18-11-13-20(14-12-18)25-22(27)24-19-5-3-2-4-6-19/h2-14,23H,15H2,1H3,(H2,24,25,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VTUMSSWZEFTCDU-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