isothiourea-1t [4280]



isothiourea-1t


SMILES CC1(C)CN2C(CS/C(=N\C3CCCCC3)NC3CCCCC3)=CSC2=N1
InChIKey OOSUDWRRWZVFEB-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Log P 5.369
Molecular weight (Da) 406.2
Stereochemistry info unspecified

Database connections

Structure pdb 3ODU 3OE6 3OE8 3OE9

Bioactivities

Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database
Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database

isothiourea-1t


Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Distribution across phases (no. indications)

Phase I 0
Phase II 0
Phase III 0
Phase IV 0

Database connections

Structure pdb 3ODU 3OE6 3OE8 3OE9

Compound is not listed as a drug.