General Information of the Compound
| Compound ID |
CP0565993
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-(1H-indol-3-ylsulfanyl)-6-morpholin-4-ylpyrimidin-2-yl]-3-(4-methoxyphenyl)urea
Show/Hide
|
||||||||||||||||||
| Formula |
C24H24N6O3S
|
||||||||||||||||||
| Molecular Weight |
476.562
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(NC(=O)Nc2nc(Sc3c[nH]c4ccccc34)cc(n2)N2CCOCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24N6O3S/c1-32-17-8-6-16(7-9-17)26-24(31)29-23-27-21(30-10-12-33-13-11-30)14-22(28-23)34-20-15-25-19-5-3-2-4-18(19)20/h2-9,14-15,25H,10-13H2,1H3,(H2,26,27,28,29,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GQWDVGYFAYQVOW-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