General Information of the Compound
| Compound ID |
CP0406890
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[6-(cyanomethoxy)quinolin-4-yl]sulfanylcyclobutane-1-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H14N2O3S
|
||||||||||||||||||
| Molecular Weight |
314.366
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C1(CCC1)Sc1ccnc2ccc(OCC#N)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H14N2O3S/c17-7-9-21-11-2-3-13-12(10-11)14(4-8-18-13)22-16(15(19)20)5-1-6-16/h2-4,8,10H,1,5-6,9H2,(H,19,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IPCHXGYIYQCWKM-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