General Information of the Compound
| Compound ID |
CP0536381
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3,4-dimethoxyphenyl)-3-[3-(5-methylimidazol-1-yl)propyl]-1-(2-morpholin-4-ylethyl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H33N5O4
|
||||||||||||||||||
| Molecular Weight |
431.537
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1OC)N(CCN1CCOCC1)C(=O)NCCCn1cncc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H33N5O4/c1-18-16-23-17-26(18)8-4-7-24-22(28)27(10-9-25-11-13-31-14-12-25)19-5-6-20(29-2)21(15-19)30-3/h5-6,15-17H,4,7-14H2,1-3H3,(H,24,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZGQNJFZRNXMPTL-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