General Information of the Compound
| Compound ID |
CP0482652
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]phenyl]pyrrolidin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H17N5OS
|
||||||||||||||||||
| Molecular Weight |
387.468
|
||||||||||||||||||
| Canonical SMILES |
O=C1CCCN1c1ccc(Nc2ncnc3ccc(cc23)-c2cncs2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H17N5OS/c27-20-2-1-9-26(20)16-6-4-15(5-7-16)25-21-17-10-14(19-11-22-13-28-19)3-8-18(17)23-12-24-21/h3-8,10-13H,1-2,9H2,(H,23,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JSPUEGWBSKAOJC-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