General Information of the Compound
| Compound ID |
CP0546110
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-(cyclopropylamino)-6-(1H-indol-3-ylsulfanyl)pyrimidin-2-yl]-3-phenylurea
Show/Hide
|
||||||||||||||||||
| Formula |
C22H20N6OS
|
||||||||||||||||||
| Molecular Weight |
416.51
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1ccccc1)Nc1nc(NC2CC2)cc(Sc2c[nH]c3ccccc23)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H20N6OS/c29-22(25-14-6-2-1-3-7-14)28-21-26-19(24-15-10-11-15)12-20(27-21)30-18-13-23-17-9-5-4-8-16(17)18/h1-9,12-13,15,23H,10-11H2,(H3,24,25,26,27,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VQKVHBZHMJXIML-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