General Information of the Compound
| Compound ID |
CP0382799
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-chloro-4-fluoro-3-[(4-methoxyquinazolin-6-yl)amino]phenyl]propane-1-sulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H18ClFN4O3S
|
||||||||||||||||||
| Molecular Weight |
424.885
|
||||||||||||||||||
| Canonical SMILES |
CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncnc(OC)c3c2)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H18ClFN4O3S/c1-3-8-28(25,26)24-15-7-5-13(20)17(16(15)19)23-11-4-6-14-12(9-11)18(27-2)22-10-21-14/h4-7,9-10,23-24H,3,8H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WHFIUGREDWCPSI-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