General Information of the Compound
| Compound ID |
CP0121917
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(1-methylpiperidin-4-yl)quinazolin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H32N6O2
|
||||||||||||||||||
| Molecular Weight |
472.593
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(CCc2cc(Nc3ncnc4cc(ccc34)C3CCN(C)CC3)n[nH]2)cc(OC)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H32N6O2/c1-33-10-8-19(9-11-33)20-5-7-24-25(14-20)28-17-29-27(24)30-26-15-21(31-32-26)6-4-18-12-22(34-2)16-23(13-18)35-3/h5,7,12-17,19H,4,6,8-11H2,1-3H3,(H2,28,29,30,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MHQMZFNNZJVUKF-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