General Information of the Compound
| Compound ID |
CP0381317
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL2204247
Show/Hide
|
||||||||||||||||||
| Formula |
C25H29F3N4O4
|
||||||||||||||||||
| Molecular Weight |
506.525
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(n1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H29F3N4O4/c1-36-22-7-3-6-20(31-22)24(35)10-8-19(9-11-24)32-14-18(15-32)30-21(33)13-29-23(34)16-4-2-5-17(12-16)25(26,27)28/h2-7,12,18-19,35H,8-11,13-15H2,1H3,(H,29,34)(H,30,33)/t19-,24-
Show/Hide
|
||||||||||||||||||
| InChIKey |
SFSKODMHXYJDPS-OGAOHHHESA-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
Protein ID: PT01021, C-C chemokine receptor type 2
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2