General Information of the Compound
| Compound ID |
CP0452307
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL1829629
Show/Hide
|
||||||||||||||||||
| Formula |
C25H27F4N3O3
|
||||||||||||||||||
| Molecular Weight |
493.501
|
||||||||||||||||||
| Canonical SMILES |
O[C@@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27F4N3O3/c26-19-6-4-17(5-7-19)24(35)10-8-21(9-11-24)32-14-20(15-32)31-22(33)13-30-23(34)16-2-1-3-18(12-16)25(27,28)29/h1-7,12,20-21,35H,8-11,13-15H2,(H,30,34)(H,31,33)/t21-,24+
Show/Hide
|
||||||||||||||||||
| InChIKey |
XULVMRUMTSIIFH-PEPAQOBHSA-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