General Information of the Compound
| Compound ID |
CP0071889
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-hydroxyethyl)-1-(4-methoxyphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H23N5O3
|
||||||||||||||||||
| Molecular Weight |
417.469
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)N(CCO)C(=O)Nc1ccc(cc1)-c1ncnc2[nH]cc(C)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H23N5O3/c1-15-13-24-22-20(15)21(25-14-26-22)16-3-5-17(6-4-16)27-23(30)28(11-12-29)18-7-9-19(31-2)10-8-18/h3-10,13-14,29H,11-12H2,1-2H3,(H,27,30)(H,24,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AIEHRBYQUAJZPW-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