General Information of the Compound
| Compound ID |
CP0354438
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-cyclohexyl-1-(3,4-dimethoxyphenyl)-3-[3-(5-methylimidazol-1-yl)propyl]thiourea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H32N4O2S
|
||||||||||||||||||
| Molecular Weight |
416.591
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1OC)N(C1CCCCC1)C(=S)NCCCn1cncc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H32N4O2S/c1-17-15-23-16-25(17)13-7-12-24-22(29)26(18-8-5-4-6-9-18)19-10-11-20(27-2)21(14-19)28-3/h10-11,14-16,18H,4-9,12-13H2,1-3H3,(H,24,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DBMQSESGMJCMEE-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