General Information of the Compound
| Compound ID |
CP0559691
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(1R)-1-(4-chlorophenyl)ethyl]-6-pyridin-3-ylquinolin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H18ClN3
|
||||||||||||||||||
| Molecular Weight |
359.86
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](Nc1ccnc2ccc(cc12)-c1cccnc1)c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H18ClN3/c1-15(16-4-7-19(23)8-5-16)26-22-10-12-25-21-9-6-17(13-20(21)22)18-3-2-11-24-14-18/h2-15H,1H3,(H,25,26)/t15-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LHVQEPIKUBGBJQ-OAHLLOKOSA-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
Protein ID: PT01902, Serine-protein kinase ATM
Protein ID: PT01934, Serine/threonine-protein kinase ATR