General Information of the Compound
| Compound ID |
CP0913931
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(((trans)-4-(((3-fluorophenyl)(pyrazin-2-yl)carbamoyloxy)methyl)cyclohexyl)methoxy)acetic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C21H24FN3O5
|
||||||||||||||||||
| Molecular Weight |
417.437
|
||||||||||||||||||
| Canonical SMILES |
O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2cccc(F)c2)c2cnccn2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H24FN3O5/c22-17-2-1-3-18(10-17)25(19-11-23-8-9-24-19)21(28)30-13-16-6-4-15(5-7-16)12-29-14-20(26)27/h1-3,8-11,15-16H,4-7,12-14H2,(H,26,27)/t15-,16-
Show/Hide
|
||||||||||||||||||
| InChIKey |
IKJGVLHQJMBYIT-WKILWMFISA-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