General Information of the Compound
| Compound ID |
CP0474361
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]phenoxy]adamantane-1-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H34N2O6
|
||||||||||||||||||
| Molecular Weight |
458.555
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)OC(=O)NCCNC(=O)c1ccc(OC2C3CC4CC2CC(C4)(C3)C(O)=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H34N2O6/c1-24(2,3)33-23(31)27-9-8-26-21(28)16-4-6-19(7-5-16)32-20-17-10-15-11-18(20)14-25(12-15,13-17)22(29)30/h4-7,15,17-18,20H,8-14H2,1-3H3,(H,26,28)(H,27,31)(H,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AJSCFMQGMBREFM-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