General Information of the Compound
| Compound ID |
CP0419018
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 4-(2-bromo-4-fluorophenyl)-6-[(8-oxo-2,7-diazaspiro[4.4]nonan-2-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(CNC(=O)C3)C2)NC(=NC1c1ccc(F)cc1Br)c1nccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H25BrFN5O3S/c1-2-34-23(33)19-17(11-31-7-5-24(13-31)10-18(32)28-12-24)29-21(22-27-6-8-35-22)30-20(19)15-4-3-14(26)9-16(15)25/h3-4,6,8-9,20H,2,5,7,10-13H2,1H3,(H,28,32)(H,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UQXLIDWRNCZRIO-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