General Information of the Compound
| Compound ID |
CP0527916
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[4-(4-fluorophenyl)-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]-N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H28FN7S
|
||||||||||||||||||
| Molecular Weight |
501.635
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1)-c1nc(sc1-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1)N1CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H28FN7S/c28-20-5-3-19(4-6-20)24-25(36-27(33-24)35-15-1-2-16-35)23-11-12-30-26(32-23)31-21-7-9-22(10-8-21)34-17-13-29-14-18-34/h3-12,29H,1-2,13-18H2,(H,30,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BOTWVGZGMDPRCO-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