General Information of the Compound
| Compound ID |
CP0382916
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]-N-methylethanesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H23ClN6O2S
|
||||||||||||||||||
| Molecular Weight |
398.92
|
||||||||||||||||||
| Canonical SMILES |
CNS(=O)(=O)CCNc1nc(nc2ccc(Cl)cc12)N1CCN(C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H23ClN6O2S/c1-18-26(24,25)10-5-19-15-13-11-12(17)3-4-14(13)20-16(21-15)23-8-6-22(2)7-9-23/h3-4,11,18H,5-10H2,1-2H3,(H,19,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YJBYCNMZDWJKLC-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