General Information of the Compound
| Compound ID |
CP0250916
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(1H-indol-3-yl)-N-((4-isopropyl-3,4-dihydro-2H-benzo[b][1,4]oxazin-2-yl)methyl)propan-1-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H29N3O
|
||||||||||||||||||
| Molecular Weight |
363.505
|
||||||||||||||||||
| Canonical SMILES |
CC(C)N1CC(CNCCCc2c[nH]c3ccccc23)Oc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H29N3O/c1-17(2)26-16-19(27-23-12-6-5-11-22(23)26)15-24-13-7-8-18-14-25-21-10-4-3-9-20(18)21/h3-6,9-12,14,17,19,24-25H,7-8,13,15-16H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VKCUQIFDZDDWJX-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