General Information of the Compound
| Compound ID |
CP0433657
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-chlorobenzyl)-N-(3-(2-ethylpiperidin-1-yl)propyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H31ClN4O2S
|
||||||||||||||||||
| Molecular Weight |
499.08
|
||||||||||||||||||
| Canonical SMILES |
CCC1CCCCN1CCCNC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccc(Cl)cc1)c2=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H31ClN4O2S/c1-2-21-6-3-4-14-30(21)15-5-13-28-24(32)19-9-12-22-23(16-19)29-26(34)31(25(22)33)17-18-7-10-20(27)11-8-18/h7-12,16,21H,2-6,13-15,17H2,1H3,(H,28,32)(H,29,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KJYVCGYIKICZEW-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 | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| 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