General Information of the Compound
| Compound ID |
CP0377321
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-((1-(4-tert-butylcyclohexyl)-3-(4-(trifluoromethoxy)phenyl)ureido)methyl)benzamido)acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H34F3N3O5
|
||||||||||||||||||
| Molecular Weight |
549.59
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)C1CCC(CC1)N(Cc1ccc(cc1)C(=O)NCC(O)=O)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H34F3N3O5/c1-27(2,3)20-8-12-22(13-9-20)34(17-18-4-6-19(7-5-18)25(37)32-16-24(35)36)26(38)33-21-10-14-23(15-11-21)39-28(29,30)31/h4-7,10-11,14-15,20,22H,8-9,12-13,16-17H2,1-3H3,(H,32,37)(H,33,38)(H,35,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QBXYWHIXDJHRAS-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