General Information of the Compound
| Compound ID |
CP0473994
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(2-(2-(4-chlorophenethylamino)quinazolin-4-ylamino)ethyl)benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H24ClN5O2S
|
||||||||||||||||||
| Molecular Weight |
482.009
|
||||||||||||||||||
| Canonical SMILES |
NS(=O)(=O)c1ccc(CCNc2nc(NCCc3ccc(Cl)cc3)nc3ccccc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24ClN5O2S/c25-19-9-5-17(6-10-19)14-16-28-24-29-22-4-2-1-3-21(22)23(30-24)27-15-13-18-7-11-20(12-8-18)33(26,31)32/h1-12H,13-16H2,(H2,26,31,32)(H2,27,28,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HYDYVUPTSSQFHY-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