General Information of the Compound
| Compound ID |
CP0389102
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL1829628
Show/Hide
|
||||||||||||||||||
| Formula |
C25H28F3N3O3
|
||||||||||||||||||
| Molecular Weight |
475.511
|
||||||||||||||||||
| Canonical SMILES |
O[C@@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28F3N3O3/c26-25(27,28)19-8-4-5-17(13-19)23(33)29-14-22(32)30-20-15-31(16-20)21-9-11-24(34,12-10-21)18-6-2-1-3-7-18/h1-8,13,20-21,34H,9-12,14-16H2,(H,29,33)(H,30,32)/t21-,24+
Show/Hide
|
||||||||||||||||||
| InChIKey |
QCPLMEBVJKAVGY-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