General Information of the Compound
| Compound ID |
CP0436885
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(1-(4-((2-carboxyethyl)carbamoyl)benzyl)-3-(4-(trifluoromethoxy)phenyl)ureido)cyclohexanecarboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28F3N3O7
|
||||||||||||||||||
| Molecular Weight |
551.518
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CCNC(=O)c1ccc(CN(C2CCC(CC2)C(O)=O)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28F3N3O7/c27-26(28,29)39-21-11-7-19(8-12-21)31-25(38)32(20-9-5-18(6-10-20)24(36)37)15-16-1-3-17(4-2-16)23(35)30-14-13-22(33)34/h1-4,7-8,11-12,18,20H,5-6,9-10,13-15H2,(H,30,35)(H,31,38)(H,33,34)(H,36,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JUDSTNIBNWZLHN-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