General Information of the Compound
| Compound ID |
CP0871240
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(((trans)-4-((phenyl(pyridin-3-yl)carbamoyloxy)methyl)cyclohexyl)methoxy)acetic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C22H26N2O5
|
||||||||||||||||||
| Molecular Weight |
398.459
|
||||||||||||||||||
| Canonical SMILES |
O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccnc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H26N2O5/c25-21(26)16-28-14-17-8-10-18(11-9-17)15-29-22(27)24(19-5-2-1-3-6-19)20-7-4-12-23-13-20/h1-7,12-13,17-18H,8-11,14-16H2,(H,25,26)/t17-,18-
Show/Hide
|
||||||||||||||||||
| InChIKey |
QXAAUDQDZIGFKZ-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