General Information of the Compound
| Compound ID |
CP0046757
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[2-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H23F4N5O3S
|
||||||||||||||||||
| Molecular Weight |
621.616
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N1CCC(=CC1)c1cc2nccc(Oc3ccc(NC(=O)c4cnn(c4C(F)(F)F)-c4ccccc4)cc3F)c2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H23F4N5O3S/c1-18(41)39-13-10-19(11-14-39)27-16-24-28(44-27)26(9-12-36-24)43-25-8-7-20(15-23(25)32)38-30(42)22-17-37-40(29(22)31(33,34)35)21-5-3-2-4-6-21/h2-10,12,15-17H,11,13-14H2,1H3,(H,38,42)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XTBHHEIOMKZKGA-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