General Information of the Compound
| Compound ID |
CP0158915
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-benzyl-5-bromo-1-[2-oxo-2-[(1-prop-2-enoylazetidin-3-yl)amino]ethyl]indole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H23BrN4O3
|
||||||||||||||||||
| Molecular Weight |
495.377
|
||||||||||||||||||
| Canonical SMILES |
Brc1ccc2n(CC(=O)NC3CN(C3)C(=O)C=C)cc(C(=O)NCc3ccccc3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H23BrN4O3/c1-2-23(31)29-12-18(13-29)27-22(30)15-28-14-20(19-10-17(25)8-9-21(19)28)24(32)26-11-16-6-4-3-5-7-16/h2-10,14,18H,1,11-13,15H2,(H,26,32)(H,27,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UYUICJLVPDAAOJ-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