General Information of the Compound
| Compound ID |
CP0555818
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-(7-fluoro-5-oxo-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl)propyl]cyclopentanecarboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C18H20FN5O2S
|
||||||||||||||||||
| Molecular Weight |
389.456
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc2c(c1)c(=O)n(CCCNC(=O)C1CCCC1)c1n[nH]c(=S)n21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H20FN5O2S/c19-12-6-7-14-13(10-12)16(26)23(17-21-22-18(27)24(14)17)9-3-8-20-15(25)11-4-1-2-5-11/h6-7,10-11H,1-5,8-9H2,(H,20,25)(H,22,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OKQDPRMSQDTVMY-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