General Information of the Compound
| Compound ID |
CP0466116
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-[(4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methoxyphenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23N5O4
|
||||||||||||||||||
| Molecular Weight |
409.446
|
||||||||||||||||||
| Canonical SMILES |
CCOc1nc(Nc2ccc(cc2OC)C(=O)N2CC3(COC3)C2)nc2[nH]ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23N5O4/c1-3-30-18-14-6-7-22-17(14)24-20(25-18)23-15-5-4-13(8-16(15)28-2)19(27)26-9-21(10-26)11-29-12-21/h4-8H,3,9-12H2,1-2H3,(H2,22,23,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DTAQNJRTPPUJGH-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