General Information of the Compound
| Compound ID |
CP0494796
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-(3-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)butanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H30F4N2O2
|
||||||||||||||||||
| Molecular Weight |
478.53
|
||||||||||||||||||
| Canonical SMILES |
CC1Cc2ccccc2C2(CCN(CCCC(=O)NCc3cc(F)cc(c3)C(F)(F)F)CC2)O1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H30F4N2O2/c1-18-13-20-5-2-3-6-23(20)25(34-18)8-11-32(12-9-25)10-4-7-24(33)31-17-19-14-21(26(28,29)30)16-22(27)15-19/h2-3,5-6,14-16,18H,4,7-13,17H2,1H3,(H,31,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UOTTVBZTWTXCKX-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
Protein ID: PT01021, C-C chemokine receptor type 2
Protein ID: PT04128, C-C chemokine receptor type 2