General Information of the Compound
| Compound ID |
CP0409082
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-N-[[1-(3-chloro-4-fluorophenyl)cyclopropyl]methyl]-3-(4-cyanophenyl)-2-[(4-fluorophenyl)carbamoylamino]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H23ClF2N4O2
|
||||||||||||||||||
| Molecular Weight |
508.956
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(NC(=O)N[C@@H](Cc2ccc(cc2)C#N)C(=O)NCC2(CC2)c2ccc(F)c(Cl)c2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H23ClF2N4O2/c28-22-14-19(5-10-23(22)30)27(11-12-27)16-32-25(35)24(13-17-1-3-18(15-31)4-2-17)34-26(36)33-21-8-6-20(29)7-9-21/h1-10,14,24H,11-13,16H2,(H,32,35)(H2,33,34,36)/t24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LIRJUPFMKLVNMO-DEOSSOPVSA-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: PT02015, fMet-Leu-Phe receptor
Protein ID: PT02590, N-formyl peptide receptor 2