General Information of the Compound
| Compound ID |
CP0451289
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 4-(2-bromo-4-fluorophenyl)-6-[(3-oxo-2,7-diazaspiro[3.5]nonan-7-yl)methyl]-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
Show/Hide
|
||||||||||||||||||
| Formula |
C24H25BrFN5O3S
|
||||||||||||||||||
| Molecular Weight |
562.465
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)C1=C(CN2CCC3(CNC3=O)CC2)NC(=NC1c1ccc(F)cc1Br)c1nccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H25BrFN5O3S/c1-2-34-22(32)18-17(12-31-8-5-24(6-9-31)13-28-23(24)33)29-20(21-27-7-10-35-21)30-19(18)15-4-3-14(26)11-16(15)25/h3-4,7,10-11,19H,2,5-6,8-9,12-13H2,1H3,(H,28,33)(H,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QTTYXJNHSPTAIV-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