General Information of the Compound
| Compound ID |
CP0466055
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL1829633
Show/Hide
|
||||||||||||||||||
| Formula |
C26H28F3N3O5
|
||||||||||||||||||
| Molecular Weight |
519.52
|
||||||||||||||||||
| Canonical SMILES |
O[C@@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccc2OCOc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28F3N3O5/c27-26(28,29)18-3-1-2-16(10-18)24(34)30-12-23(33)31-19-13-32(14-19)20-6-8-25(35,9-7-20)17-4-5-21-22(11-17)37-15-36-21/h1-5,10-11,19-20,35H,6-9,12-15H2,(H,30,34)(H,31,33)/t20-,25+
Show/Hide
|
||||||||||||||||||
| InChIKey |
JGTRPNAQMCJPRH-IHRKKFBRSA-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 | |||||||||||||||||||
| 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
Protein ID: PT01021, C-C chemokine receptor type 2
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2