General Information of the Compound
| Compound ID |
CP0967221
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
rac-7-Fluoro-4-(2-(1-methylpyrrolidin-2-yl)ethyl)-1-thioxo-2,4-dihydro-[1,2,4]triazolo[4,3-a]quinazolin-5(1H)-one
Show/Hide
|
||||||||||||||||||
| Formula |
C16H18FN5OS
|
||||||||||||||||||
| Molecular Weight |
347.419
|
||||||||||||||||||
| Canonical SMILES |
CN1CCCC1CCn1c(=O)c2cc(F)ccc2n2c(=S)[nH]nc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H18FN5OS/c1-20-7-2-3-11(20)6-8-21-14(23)12-9-10(17)4-5-13(12)22-15(21)18-19-16(22)24/h4-5,9,11H,2-3,6-8H2,1H3,(H,19,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OWLMVDWYMXMOQD-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