General Information of the Compound
| Compound ID |
CP0500582
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
propan-2-yl 4-[[7-(2-fluoro-4-methylsulfonylphenyl)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H29FN4O5S
|
||||||||||||||||||
| Molecular Weight |
492.573
|
||||||||||||||||||
| Canonical SMILES |
CC(C)OC(=O)N1CCC(CC1)Oc1nc(C)nc2N(CCc12)c1ccc(cc1F)S(C)(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H29FN4O5S/c1-14(2)32-23(29)27-10-7-16(8-11-27)33-22-18-9-12-28(21(18)25-15(3)26-22)20-6-5-17(13-19(20)24)34(4,30)31/h5-6,13-14,16H,7-12H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
IXIXBJYVCHGFSQ-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