General Information of the Compound
| Compound ID |
CP0565030
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-(7-fluoro-5-oxo-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl)propyl]-2-(4-fluorophenyl)acetamide
Show/Hide
|
||||||||||||||||||
| Formula |
C20H17F2N5O2S
|
||||||||||||||||||
| Molecular Weight |
429.452
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(CC(=O)NCCCn2c3n[nH]c(=S)n3c3ccc(F)cc3c2=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H17F2N5O2S/c21-13-4-2-12(3-5-13)10-17(28)23-8-1-9-26-18(29)15-11-14(22)6-7-16(15)27-19(26)24-25-20(27)30/h2-7,11H,1,8-10H2,(H,23,28)(H,25,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WAZDLRSDVCWIQX-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 | |||||||||||||||||||
| 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