General Information of the Compound
| Compound ID |
CP0536450
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[4-(2,2-dimethylpropanoylamino)phenyl]-7-methyl-N-(3-morpholin-4-ylpropyl)pyrrolo[2,3-d]pyrimidine-6-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H34N6O3
|
||||||||||||||||||
| Molecular Weight |
478.597
|
||||||||||||||||||
| Canonical SMILES |
Cn1c(cc2c(ncnc12)-c1ccc(NC(=O)C(C)(C)C)cc1)C(=O)NCCCN1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H34N6O3/c1-26(2,3)25(34)30-19-8-6-18(7-9-19)22-20-16-21(31(4)23(20)29-17-28-22)24(33)27-10-5-11-32-12-14-35-15-13-32/h6-9,16-17H,5,10-15H2,1-4H3,(H,27,33)(H,30,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZASOBZCIMVEQFU-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