General Information of the Compound
| Compound ID |
CP0506243
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[3-(2-Bromo-4-trifluoromethoxy-phenyl)-ureido]-N-(2-diethylamino-ethyl)-2-methoxy-benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H26BrF3N4O4
|
||||||||||||||||||
| Molecular Weight |
547.372
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)CCNC(=O)c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2Br)cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H26BrF3N4O4/c1-4-30(5-2)11-10-27-20(31)16-8-6-14(12-19(16)33-3)28-21(32)29-18-9-7-15(13-17(18)23)34-22(24,25)26/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,27,31)(H2,28,29,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RHZBJESXJUHVTP-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