General Information of the Compound
| Compound ID |
CP0302484
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
tert-butyl 4-[4-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolo[3,2-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26ClN7O4S2
|
||||||||||||||||||
| Molecular Weight |
588.115
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc2ccn(c2c1)S(=O)(=O)c1c(Cl)nc2sccn12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26ClN7O4S2/c1-25(2,3)37-24(34)30-7-4-18(5-8-30)32-15-17(14-28-32)16-12-20-19(27-13-16)6-9-33(20)39(35,36)22-21(26)29-23-31(22)10-11-38-23/h6,9-15,18H,4-5,7-8H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SREQSZJIFSJCQJ-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