General Information of the Compound
| Compound ID |
CP0543112
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(5-ethyl-1,2-oxazol-3-yl)-3-[4-[2-[[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]amino]-4-methyl-1,3-thiazol-5-yl]phenyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H31N9O2S
|
||||||||||||||||||
| Molecular Weight |
533.662
|
||||||||||||||||||
| Canonical SMILES |
CCN1CCN(CC1)c1cc(Nc2nc(C)c(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)ncn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H31N9O2S/c1-4-20-14-22(33-37-20)31-25(36)30-19-8-6-18(7-9-19)24-17(3)29-26(38-24)32-21-15-23(28-16-27-21)35-12-10-34(5-2)11-13-35/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,27,28,29,32)(H2,30,31,33,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QHKSJWQHGLAARI-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