General Information of the Compound
| Compound ID |
CP0417760
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
quinoline, 30
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H17ClFN3O2S
|
||||||||||||||||||
| Molecular Weight |
441.915
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(CN(C(=O)c2scnc2C)c2cccc(Cl)c2)c2cccc(F)c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H17ClFN3O2S/c1-13-21(30-12-25-13)22(28)27(16-6-3-5-15(23)10-16)11-14-9-19(29-2)26-20-17(14)7-4-8-18(20)24/h3-10,12H,11H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NKTNVSITVJLCCH-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