General Information of the Compound
| Compound ID |
CP0148556
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[6-fluoro-3-(4-methylsulfonylpiperidine-1-carbonyl)quinolin-4-yl]-4-methylpiperidine-4-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H27FN4O3S
|
||||||||||||||||||
| Molecular Weight |
458.559
|
||||||||||||||||||
| Canonical SMILES |
CC1(CCN(CC1)c1c(cnc2ccc(F)cc12)C(=O)N1CCC(CC1)S(C)(=O)=O)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H27FN4O3S/c1-23(15-25)7-11-27(12-8-23)21-18-13-16(24)3-4-20(18)26-14-19(21)22(29)28-9-5-17(6-10-28)32(2,30)31/h3-4,13-14,17H,5-12H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NBVMDUQUKXRIBS-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