General Information of the Compound
| Compound ID |
CP0496479
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-{1-[3-(3-Isopropyl-ureido)-benzyl]-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl}-3-(4-methoxy-phenyl)-urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H33N5O4
|
||||||||||||||||||
| Molecular Weight |
515.614
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(NC(=O)NC2CCc3ccccc3N(Cc3cccc(NC(=O)NC(C)C)c3)C2=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H33N5O4/c1-19(2)30-28(36)32-23-9-6-7-20(17-23)18-34-26-10-5-4-8-21(26)11-16-25(27(34)35)33-29(37)31-22-12-14-24(38-3)15-13-22/h4-10,12-15,17,19,25H,11,16,18H2,1-3H3,(H2,30,32,36)(H2,31,33,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XWTYUJLKVVCJPX-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