General Information of the Compound
| Compound ID |
CP0957869
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(((trans)-4-((3-phenyl-3-(3-(trifluoromethyl)phenyl)ureido)methyl)cyclohexyl)methoxy)acetic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C24H27F3N2O4
|
||||||||||||||||||
| Molecular Weight |
464.484
|
||||||||||||||||||
| Canonical SMILES |
O=C(O)COC[C@H]1CC[C@H](CNC(=O)N(c2ccccc2)c2cccc(C(F)(F)F)c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27F3N2O4/c25-24(26,27)19-5-4-8-21(13-19)29(20-6-2-1-3-7-20)23(32)28-14-17-9-11-18(12-10-17)15-33-16-22(30)31/h1-8,13,17-18H,9-12,14-16H2,(H,28,32)(H,30,31)/t17-,18-
Show/Hide
|
||||||||||||||||||
| InChIKey |
TXXGWNRPSVIVHP-IYARVYRRSA-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