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canSAR1149017
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NAMES
    SMILES
    c1csc(-c2cc(CNC34CC5CC(CC(C5)C3)C4)no2)c1
    InChI
    InChI=1S/C18H22N2OS/c1-2-17(22-3-1)16-7-15(20-21-16)11-19-18-8-12-4-13(9-18)6-14(5-12)10-18/h1-3,7,12-14,19H,4-6,8-11H2
    MOLECULAR FORMULA
    C18H22N2OS
    CROSS REFERENCES
    1149017 logo

    canSAR1149017

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 314.15
    AlogP 4.46
    HBond donors 1
    HBond acceptors 3
    Atoms 44
    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 canSAR1149017.