General Information of the Compound
| Compound ID |
CP0258397
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3-[5-chloro-2-[3-(5-methyl-1,3-oxazol-2-yl)-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H26ClN7O
|
||||||||||||||||||
| Molecular Weight |
500.006
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)cc1-c1ncc(C)o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H26ClN7O/c1-18-16-30-26(36-18)22-15-21(6-7-24(22)35-12-10-34(2)11-13-35)32-27-31-17-23(28)25(33-27)20-5-3-4-19(14-20)8-9-29/h3-7,14-17H,8,10-13H2,1-2H3,(H,31,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VXKHKPJWTVBJQO-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