General Information of the Compound
| Compound ID |
CP0495698
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)furo[3,2-d]pyrimidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H23ClN6O3S
|
||||||||||||||||||
| Molecular Weight |
511.007
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)c1ccc2N(CCc2c1)c1ncnc2c(coc12)C1CCN(CC1)c1ncc(Cl)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H23ClN6O3S/c1-35(32,33)18-2-3-20-16(10-18)6-9-31(20)23-22-21(28-14-29-23)19(13-34-22)15-4-7-30(8-5-15)24-26-11-17(25)12-27-24/h2-3,10-15H,4-9H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
BBVFPEZRPPLGMS-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