General Information of the Compound
| Compound ID |
CP0275481
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-oxo-N-(3-phenyl-1,2-oxazol-5-yl)-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H18N4O3
|
||||||||||||||||||
| Molecular Weight |
386.411
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1cc(no1)-c1ccccc1)c1ccc2cc3C(=O)NCCCn3c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H18N4O3/c27-21(24-20-13-17(25-29-20)14-5-2-1-3-6-14)16-8-7-15-11-19-22(28)23-9-4-10-26(19)18(15)12-16/h1-3,5-8,11-13H,4,9-10H2,(H,23,28)(H,24,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UERCXNOQFSTSOY-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