General Information of the Compound
| Compound ID |
CP0437016
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-3-{1-[3-(3-isopropyl-ureido)-benzyl]-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl}-urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H33N5O5
|
||||||||||||||||||
| Molecular Weight |
543.624
|
||||||||||||||||||
| Canonical SMILES |
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4OCCOc4c3)C2=O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H33N5O5/c1-19(2)31-29(37)32-22-8-5-6-20(16-22)18-35-25-9-4-3-7-21(25)10-12-24(28(35)36)34-30(38)33-23-11-13-26-27(17-23)40-15-14-39-26/h3-9,11,13,16-17,19,24H,10,12,14-15,18H2,1-2H3,(H2,31,32,37)(H2,33,34,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MEJPGFAFBJSSIT-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