General Information of the Compound
| Compound ID |
CP0428033
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H31F4N5O4S
|
||||||||||||||||||
| Molecular Weight |
609.646
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)N1CCN(CC1)c1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H31F4N5O4S/c1-18(19-4-10-24(23(29)16-19)35-42(3,39)40)27(38)33-17-20-5-11-25(28(30,31)32)34-26(20)37-14-12-36(13-15-37)21-6-8-22(41-2)9-7-21/h4-11,16,18,35H,12-15,17H2,1-3H3,(H,33,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PYYQUBQDJYGJLH-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