General Information of the Compound
| Compound ID |
CP0572546
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-(1H-indol-3-ylsulfanyl)-6-piperidin-1-ylpyrimidin-2-yl]-3-phenylurea
Show/Hide
|
||||||||||||||||||
| Formula |
C24H24N6OS
|
||||||||||||||||||
| Molecular Weight |
444.564
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1ccccc1)Nc1nc(Sc2c[nH]c3ccccc23)cc(n1)N1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24N6OS/c31-24(26-17-9-3-1-4-10-17)29-23-27-21(30-13-7-2-8-14-30)15-22(28-23)32-20-16-25-19-12-6-5-11-18(19)20/h1,3-6,9-12,15-16,25H,2,7-8,13-14H2,(H2,26,27,28,29,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QPVPNTRPCLPLMS-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