General Information of the Compound
| Compound ID |
CP0901666
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3-(5-(2-(6-(4-acetylpiperazin-1-yl)pyridin-3-ylamino)pyrimidin-4-yl)-2-isopropylthiazol-4-yl)phenyl)-2,6-difluorobenzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H32F2N8O3S2
|
||||||||||||||||||
| Molecular Weight |
690.802
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N1CCN(c2ccc(Nc3nccc(-c4sc(C(C)C)nc4-c4cccc(NS(=O)(=O)c5c(F)cccc5F)c4)n3)cn2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H32F2N8O3S2/c1-20(2)32-40-29(22-6-4-7-23(18-22)41-48(45,46)31-25(34)8-5-9-26(31)35)30(47-32)27-12-13-36-33(39-27)38-24-10-11-28(37-19-24)43-16-14-42(15-17-43)21(3)44/h4-13,18-20,41H,14-17H2,1-3H3,(H,36,38,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HQNPPVKXVPZYRU-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