General Information of the Compound
| Compound ID |
CP0298459
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3-benzyl-1,2-oxazol-5-yl)-1-oxo-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H20N4O3
|
||||||||||||||||||
| Molecular Weight |
400.438
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1cc(Cc2ccccc2)no1)c1ccc2cc3C(=O)NCCCn3c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H20N4O3/c28-22(25-21-14-18(26-30-21)11-15-5-2-1-3-6-15)17-8-7-16-12-20-23(29)24-9-4-10-27(20)19(16)13-17/h1-3,5-8,12-14H,4,9-11H2,(H,24,29)(H,25,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JMEYCQCGWJJILQ-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