General Information of the Compound
| Compound ID |
CP0561897
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-[(4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-propan-2-yloxyphenyl]-morpholin-4-ylmethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H27N5O4
|
||||||||||||||||||
| Molecular Weight |
425.489
|
||||||||||||||||||
| Canonical SMILES |
CCOc1nc(Nc2ccc(cc2OC(C)C)C(=O)N2CCOCC2)nc2[nH]ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27N5O4/c1-4-30-20-16-7-8-23-19(16)25-22(26-20)24-17-6-5-15(13-18(17)31-14(2)3)21(28)27-9-11-29-12-10-27/h5-8,13-14H,4,9-12H2,1-3H3,(H2,23,24,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JNEYRGCOLYRABZ-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