General Information of the Compound
| Compound ID |
CP0734491
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-Chloro-N-(5-(3,5-dimethoxyphenethyl)-1H-pyrazol-3-yl)quinazolin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20ClN5O2
|
||||||||||||||||||
| Molecular Weight |
409.877
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(CCc2cc(Nc3ncnc4c(Cl)cccc34)n[nH]2)cc(OC)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20ClN5O2/c1-28-15-8-13(9-16(11-15)29-2)6-7-14-10-19(27-26-14)25-21-17-4-3-5-18(22)20(17)23-12-24-21/h3-5,8-12H,6-7H2,1-2H3,(H2,23,24,25,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KICPMPKKPFQRJI-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