General Information of the Compound
| Compound ID |
CP0538035
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3,3-diphenylpropyl)-3-[6-(methanesulfonamido)-1,3-benzothiazol-2-yl]-1-(2-morpholin-4-ylethyl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H35N5O4S2
|
||||||||||||||||||
| Molecular Weight |
593.775
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)Nc1ccc2nc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CCN3CCOCC3)sc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H35N5O4S2/c1-41(37,38)33-25-12-13-27-28(22-25)40-29(31-27)32-30(36)35(17-16-34-18-20-39-21-19-34)15-14-26(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-13,22,26,33H,14-21H2,1H3,(H,31,32,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XOQVPQVLCRKAHN-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