General Information of the Compound
| Compound ID |
CP0441154
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(1H-Indazol-5-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 |
C29H31N7O3
|
||||||||||||||||||
| Molecular Weight |
525.613
|
||||||||||||||||||
| Canonical SMILES |
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4[nH]ncc4c3)C2=O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H31N7O3/c1-18(2)31-28(38)32-22-8-5-6-19(14-22)17-36-26-9-4-3-7-20(26)10-12-25(27(36)37)34-29(39)33-23-11-13-24-21(15-23)16-30-35-24/h3-9,11,13-16,18,25H,10,12,17H2,1-2H3,(H,30,35)(H2,31,32,38)(H2,33,34,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BRLBNIBPJJVSFE-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