General Information of the Compound
| Compound ID |
CP0573018
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-fluoro-4-(2-piperidin-1-ylethyl)-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
Show/Hide
|
||||||||||||||||||
| Formula |
C16H18FN5OS
|
||||||||||||||||||
| Molecular Weight |
347.419
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc2c(c1)c(=O)n(CCN1CCCCC1)c1n[nH]c(=S)n21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H18FN5OS/c17-11-4-5-13-12(10-11)14(23)21(15-18-19-16(24)22(13)15)9-8-20-6-2-1-3-7-20/h4-5,10H,1-3,6-9H2,(H,19,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YXGKVGCKFWARNG-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