General Information of the Compound
| Compound ID |
CP0382868
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H34N4O2S
|
||||||||||||||||||
| Molecular Weight |
526.706
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1cccc(c1)-c1nccs1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H34N4O2S/c36-31(33-28-13-7-12-27(24-28)30-32-15-23-38-30)35(18-17-34-19-21-37-22-20-34)16-14-29(25-8-3-1-4-9-25)26-10-5-2-6-11-26/h1-13,15,23-24,29H,14,16-22H2,(H,33,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GKMRQEBIZLWROE-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