General Information of the Compound
| Compound ID |
CP0403070
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[6-[2-(1-pyridin-2-ylethylamino)-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H21F3N6O2S
|
||||||||||||||||||
| Molecular Weight |
550.566
|
||||||||||||||||||
| Canonical SMILES |
CC(Nc1cc(ccc1-c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)C(F)(F)F)c1ccccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H21F3N6O2S/c1-15(19-6-3-4-11-31-19)34-21-12-17(27(28,29)30)9-10-18(21)20-13-24(33-14-32-20)38-22-7-5-8-23-25(22)36-26(39-23)35-16(2)37/h3-15,34H,1-2H3,(H,35,36,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QXLMKVMKRUKAFT-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