General Information of the Compound
| Compound ID |
CP0501681
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-Chloro-phenyl)-2-[2-(4-chloro-phenylamino)-4-phenyl-thiazol-5-yl]-3H-quinazolin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H18Cl2N4OS
|
||||||||||||||||||
| Molecular Weight |
541.463
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(Nc2nc(c(s2)-c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)-c2ccccc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H18Cl2N4OS/c30-19-10-14-21(15-11-19)32-29-34-25(18-6-2-1-3-7-18)26(37-29)27-33-24-9-5-4-8-23(24)28(36)35(27)22-16-12-20(31)13-17-22/h1-17H,(H,32,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WKFSZIHCDQMHOB-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