General Information of the Compound
| Compound ID |
CP0554976
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[2-[3-methoxy-5-(trifluoromethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-dihydroisoindol-4-yl]-N-methylmethanesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H21F6N5O3S
|
||||||||||||||||||
| Molecular Weight |
561.508
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(Nc2ncc(c(n2)N2Cc3cccc(N(C)S(C)(=O)=O)c3C2)C(F)(F)F)cc(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H21F6N5O3S/c1-33(38(3,35)36)19-6-4-5-13-11-34(12-17(13)19)20-18(23(27,28)29)10-30-21(32-20)31-15-7-14(22(24,25)26)8-16(9-15)37-2/h4-10H,11-12H2,1-3H3,(H,30,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MRCKFMFNGXKKMU-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