General Information of the Compound
| Compound ID |
CP0508093
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-(2,5-dichloroanilino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H16Cl2N4O
|
||||||||||||||||||
| Molecular Weight |
399.281
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(Cl)c(Nc2ncncc2C(=O)N2CCCc3ccccc23)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H16Cl2N4O/c21-14-7-8-16(22)17(10-14)25-19-15(11-23-12-24-19)20(27)26-9-3-5-13-4-1-2-6-18(13)26/h1-2,4,6-8,10-12H,3,5,9H2,(H,23,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ARUGDILDLHZHOM-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