General Information of the Compound
| Compound ID |
CP0496486
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-{2-Oxo-1-[3-(3-phenyl-ureido)-benzyl]-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl}-3-phenyl-urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H29N5O3
|
||||||||||||||||||
| Molecular Weight |
519.605
|
||||||||||||||||||
| Canonical SMILES |
O=C(NC1CCc2ccccc2N(Cc2cccc(NC(=O)Nc3ccccc3)c2)C1=O)Nc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H29N5O3/c37-29-27(35-31(39)33-25-14-5-2-6-15-25)19-18-23-11-7-8-17-28(23)36(29)21-22-10-9-16-26(20-22)34-30(38)32-24-12-3-1-4-13-24/h1-17,20,27H,18-19,21H2,(H2,32,34,38)(H2,33,35,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KASIYTWYPTVTRI-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