General Information of the Compound
| Compound ID |
CP0406479
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(7-Chloro-6-nitro-quinazolin-4-yl)-piperazine-1-carbothioic acid benzylamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H19ClN6O2S
|
||||||||||||||||||
| Molecular Weight |
442.932
|
||||||||||||||||||
| Canonical SMILES |
[O-][N+](=O)c1cc2c(ncnc2cc1Cl)N1CCN(CC1)C(=[SH+])[N-]Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19ClN6O2S/c21-16-11-17-15(10-18(16)27(28)29)19(24-13-23-17)25-6-8-26(9-7-25)20(30)22-12-14-4-2-1-3-5-14/h1-5,10-11,13H,6-9,12H2,(H,22,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YKPSNCOYXMNBLI-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