General Information of the Compound
| Compound ID |
CP0409052
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-(1-phenylpyrazol-4-yl)quinolin-7-yl] N,N-dimethylcarbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H18N4O2
|
||||||||||||||||||
| Molecular Weight |
358.401
|
||||||||||||||||||
| Canonical SMILES |
CN(C)C(=O)Oc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H18N4O2/c1-24(2)21(26)27-17-8-9-19-18(10-11-22-20(19)12-17)15-13-23-25(14-15)16-6-4-3-5-7-16/h3-14H,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QKXVLCDXRQTXMX-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