General Information of the Compound
| Compound ID |
CP0014853
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[5-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H18N4O2
|
||||||||||||||||||
| Molecular Weight |
322.368
|
||||||||||||||||||
| Canonical SMILES |
COCCc1c[nH]c2ncnc(-c3cccc(NC(=O)C=C)c3)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H18N4O2/c1-3-15(23)22-14-6-4-5-12(9-14)17-16-13(7-8-24-2)10-19-18(16)21-11-20-17/h3-6,9-11H,1,7-8H2,2H3,(H,22,23)(H,19,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HPOCKNFSXXGFOP-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