General Information of the Compound
| Compound ID |
CP0512747
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-methylindol-4-yl)propanamide
Show/Hide
|
||||||||||||||||||
| Formula |
C21H23N3O
|
||||||||||||||||||
| Molecular Weight |
333.435
|
||||||||||||||||||
| Canonical SMILES |
Cn1ccc2c(NC(=O)CCN3CCCc4ccccc34)cccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23N3O/c1-23-14-11-17-18(8-4-10-20(17)23)22-21(25)12-15-24-13-5-7-16-6-2-3-9-19(16)24/h2-4,6,8-11,14H,5,7,12-13,15H2,1H3,(H,22,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XBTJKTGWGACFOJ-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 | |||||||||||||||||||
| 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