General Information of the Compound
| Compound ID |
CP0540386
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[3-(5-methylimidazol-1-yl)propyl]-3-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)thiourea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H22N4OS
|
||||||||||||||||||
| Molecular Weight |
342.468
|
||||||||||||||||||
| Canonical SMILES |
Cc1cncn1CCCNC(=S)Nc1ccc2CCCC(=O)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H22N4OS/c1-13-11-19-12-22(13)9-3-8-20-18(24)21-15-7-6-14-4-2-5-17(23)16(14)10-15/h6-7,10-12H,2-5,8-9H2,1H3,(H2,20,21,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BBLKWRXKZDIBAD-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