General Information of the Compound
| Compound ID |
CP0452629
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-(3,5-dichloro-pyridin-4-ylmethoxy)-2-methyl-4-pyrazol-1-yl-quinoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H14Cl2N4O
|
||||||||||||||||||
| Molecular Weight |
385.254
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(-n2cccn2)c2cccc(OCc3c(Cl)cncc3Cl)c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H14Cl2N4O/c1-12-8-17(25-7-3-6-23-25)13-4-2-5-18(19(13)24-12)26-11-14-15(20)9-22-10-16(14)21/h2-10H,11H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XRBNKLGCMWYERW-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