General Information of the Compound
| Compound ID |
CP0250473
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(1H-indol-3-yl)-N-((4-phenyl-3,4-dihydro-2H-benzo[b][1,4]oxazin-2-yl)methyl)ethanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25N3O
|
||||||||||||||||||
| Molecular Weight |
383.495
|
||||||||||||||||||
| Canonical SMILES |
C(Cc1c[nH]c2ccccc12)NCC1CN(c2ccccc2)c2ccccc2O1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25N3O/c1-2-8-20(9-3-1)28-18-21(29-25-13-7-6-12-24(25)28)17-26-15-14-19-16-27-23-11-5-4-10-22(19)23/h1-13,16,21,26-27H,14-15,17-18H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
ASYOGWMUPAUVGI-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