General Information of the Compound
| Compound ID |
CP0189740
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(5-ethylsulfonylpyridin-2-yl)methyl]-4-[2-[7-(2-methylpropyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]benzamide
Show/Hide
|
||||||||||||||||||
| Formula |
C30H37N3O3S
|
||||||||||||||||||
| Molecular Weight |
519.711
|
||||||||||||||||||
| Canonical SMILES |
CCS(=O)(=O)c1ccc(CNC(=O)c2ccc(CCN3CCCc4ccc(CC(C)C)cc34)cc2)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H37N3O3S/c1-4-37(35,36)28-14-13-27(31-21-28)20-32-30(34)26-11-7-23(8-12-26)15-17-33-16-5-6-25-10-9-24(18-22(2)3)19-29(25)33/h7-14,19,21-22H,4-6,15-18,20H2,1-3H3,(H,32,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KDHQCMLLHSZETR-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