General Information of the Compound
| Compound ID |
CP0435687
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(1,3-benzodioxol-5-yl)-3-[3-(5-methylimidazol-1-yl)propyl]thiourea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H18N4O2S
|
||||||||||||||||||
| Molecular Weight |
318.402
|
||||||||||||||||||
| Canonical SMILES |
Cc1cncn1CCCNC(=S)Nc1ccc2OCOc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H18N4O2S/c1-11-8-16-9-19(11)6-2-5-17-15(22)18-12-3-4-13-14(7-12)21-10-20-13/h3-4,7-9H,2,5-6,10H2,1H3,(H2,17,18,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WKFCICZVYQQZTF-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