General Information of the Compound
| Compound ID |
CP0580198
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[2-(1-cyclopropylpiperidin-4-yl)-4-[3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-1,3-thiazol-5-yl]pyrimidin-2-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H27F3N6O3S2
|
||||||||||||||||||
| Molecular Weight |
628.702
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)Nc1nccc(n1)-c1sc(nc1-c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1F)C1CCN(CC1)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H27F3N6O3S2/c1-16(39)34-29-33-12-9-23(35-29)27-26(36-28(42-27)17-10-13-38(14-11-17)19-6-7-19)20-3-2-4-22(25(20)32)37-43(40,41)24-15-18(30)5-8-21(24)31/h2-5,8-9,12,15,17,19,37H,6-7,10-11,13-14H2,1H3,(H,33,34,35,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WANXHJHRCVVESE-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 | |||||||||||||||||||
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