General Information of the Compound
| Compound ID |
CP0381845
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(4-fluorophenyl)sulfonyl-[(4-methoxyphenyl)methyl]amino]-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H29F5N4O6S2
|
||||||||||||||||||
| Molecular Weight |
712.719
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(CN(c2nc(ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)C(F)(F)F)S(=O)(=O)c2ccc(F)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H29F5N4O6S2/c1-19(21-6-14-27(26(33)16-21)39-47(3,42)43)30(41)37-17-22-7-15-28(31(34,35)36)38-29(22)40(18-20-4-10-24(46-2)11-5-20)48(44,45)25-12-8-23(32)9-13-25/h4-16,19,39H,17-18H2,1-3H3,(H,37,41)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PYNPATCHJQZVPM-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