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canSAR2021695
FEATURES
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NAMES
    SMILES
    CCn1c(SCc2cc(O)nc3ccccc23)nnc1C1CC1
    InChI
    InChI=1S/C17H18N4OS/c1-2-21-16(11-7-8-11)19-20-17(21)23-10-12-9-15(22)18-14-6-4-3-5-13(12)14/h3-6,9,11H,2,7-8,10H2,1H3,(H,18,22)
    MOLECULAR FORMULA
    C17H18N4OS
    CROSS REFERENCES
    2021695 logo

    canSAR2021695

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 326.12
    AlogP 3.72
    HBond donors 1
    HBond acceptors 5
    Atoms 41
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2021695.