General Information of the Compound
Compound ID |
CP0061950
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
N-[3-fluoro-4-[2-[4-[(2-methylsulfonylethylamino)methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C34H27F4N5O4S2
|
||||||||||||||||||
Molecular Weight |
709.747
|
||||||||||||||||||
Canonical SMILES |
CS(=O)(=O)CCNCc1ccc(cc1)-c1cc2nccc(Oc3ccc(NC(=O)c4cnn(c4C(F)(F)F)-c4ccccc4)cc3F)c2s1
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C34H27F4N5O4S2/c1-49(45,46)16-15-39-19-21-7-9-22(10-8-21)30-18-27-31(48-30)29(13-14-40-27)47-28-12-11-23(17-26(28)35)42-33(44)25-20-41-43(32(25)34(36,37)38)24-5-3-2-4-6-24/h2-14,17-18,20,39H,15-16,19H2,1H3,(H,42,44)
Show/Hide
|
||||||||||||||||||
InChIKey |
CIGNUCKEHATOKY-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