General Information of the Compound
| Compound ID |
CP0538140
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 3-[[4-[(3-methylbenzoyl)amino]phenyl]carbamoylamino]benzoate
Show/Hide
|
||||||||||||||||||
| Formula |
C23H21N3O4
|
||||||||||||||||||
| Molecular Weight |
403.438
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)c1cccc(NC(=O)Nc2ccc(NC(=O)c3cccc(C)c3)cc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H21N3O4/c1-15-5-3-6-16(13-15)21(27)24-18-9-11-19(12-10-18)25-23(29)26-20-8-4-7-17(14-20)22(28)30-2/h3-14H,1-2H3,(H,24,27)(H2,25,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NEGXFRQUZXZNID-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 | |||||||||||||||||||
| 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: PT04714, P2Y purinoceptor 2
Protein ID: PT05061, Uracil nucleotide/cysteinyl leukotriene receptor