General Information of the Compound
| Compound ID |
CP0545547
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R)-3-(4-cyanophenyl)-2-[(4-fluorophenyl)carbamoylamino]-N-(2-oxoazepan-3-yl)propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H24FN5O3
|
||||||||||||||||||
| Molecular Weight |
437.475
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(NC(=O)N[C@H](Cc2ccc(cc2)C#N)C(=O)NC2CCCCNC2=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24FN5O3/c24-17-8-10-18(11-9-17)27-23(32)29-20(13-15-4-6-16(14-25)7-5-15)22(31)28-19-3-1-2-12-26-21(19)30/h4-11,19-20H,1-3,12-13H2,(H,26,30)(H,28,31)(H2,27,29,32)/t19?,20-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VHWYHULPDRZPBP-GFOWMXPYSA-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 | |||||||||||||||||||
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: PT02015, fMet-Leu-Phe receptor
Protein ID: PT02590, N-formyl peptide receptor 2