General Information of the Compound
| Compound ID |
CP0540610
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3,3-diphenylpropyl)-3-(6-methyl-1,3-benzothiazol-2-yl)-1-(2-morpholin-4-ylethyl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H34N4O2S
|
||||||||||||||||||
| Molecular Weight |
514.695
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc2nc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CCN3CCOCC3)sc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H34N4O2S/c1-23-12-13-27-28(22-23)37-29(31-27)32-30(35)34(17-16-33-18-20-36-21-19-33)15-14-26(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-13,22,26H,14-21H2,1H3,(H,31,32,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DUAQFJITTLWUAT-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