1827171 logo
canSAR1827171
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C=CCNc1cc(/C=C/C(=O)NO)ccc1SCCN(CC)CC
    InChI
    InChI=1S/C18H27N3O2S/c1-4-11-19-16-14-15(8-10-18(22)20-23)7-9-17(16)24-13-12-21(5-2)6-3/h4,7-10,14,19,23H,1,5-6,11-13H2,2-3H3,(H,20,22)/b10-8+
    MOLECULAR FORMULA
    C18H27N3O2S
    CROSS REFERENCES
    1827171 logo

    canSAR1827171

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 349.18
    AlogP 3.24
    HBond donors 3
    HBond acceptors 5
    Atoms 51
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1827171.