1975595 logo
canSAR1975595
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C[C@]12CCC3C(CCC4CC(=O)C(=S)C[C@@]43C)C1CCC2=O
    InChI
    InChI=1S/C19H26O2S/c1-18-8-7-14-12(13(18)5-6-17(18)21)4-3-11-9-15(20)16(22)10-19(11,14)2/h11-14H,3-10H2,1-2H3/t11?,12?,13?,14?,18-,19-/m0/s1
    MOLECULAR FORMULA
    C19H26O2S
    CROSS REFERENCES
    1975595 logo

    canSAR1975595

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 318.17
    AlogP 4.15
    HBond donors 0
    HBond acceptors 2
    Atoms 48
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1975595.