General Information of the Compound
| Compound ID |
CP0426278
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
tert-butyl N-[2-[2-[2-[3-[3-(7-fluoro-5-oxo-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-4-yl)propylamino]-3-oxopropoxy]ethoxy]ethoxy]ethyl]carbamate
Show/Hide
|
||||||||||||||||||
| Formula |
C26H37FN6O7S
|
||||||||||||||||||
| Molecular Weight |
596.682
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)OC(=O)NCCOCCOCCOCCC(=O)NCCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H37FN6O7S/c1-26(2,3)40-25(36)29-9-12-38-14-16-39-15-13-37-11-7-21(34)28-8-4-10-32-22(35)19-17-18(27)5-6-20(19)33-23(32)30-31-24(33)41/h5-6,17H,4,7-16H2,1-3H3,(H,28,34)(H,29,36)(H,31,41)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PJJZFIBVFHIINE-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