General Information of the Compound
| Compound ID |
CP0579584
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-chloro-2-methylphenyl)-3-[4-(1H-indol-3-ylsulfanyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]urea
Show/Hide
|
||||||||||||||||||
| Formula |
C29H27ClN8OS
|
||||||||||||||||||
| Molecular Weight |
571.11
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(Cl)ccc1NC(=O)Nc1nc(Sc2c[nH]c3ccccc23)cc(n1)N1CCN(CC1)c1ccccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H27ClN8OS/c1-19-16-20(30)9-10-22(19)33-29(39)36-28-34-26(38-14-12-37(13-15-38)25-8-4-5-11-31-25)17-27(35-28)40-24-18-32-23-7-3-2-6-21(23)24/h2-11,16-18,32H,12-15H2,1H3,(H2,33,34,35,36,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KRJHWHCDTKMONM-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 | |||||||||||||||||||
| 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