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canSAR1620702
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NAMES
    SMILES
    CCOc1ccc(-c2nnc3ccc(SCC(=O)NCc4ccco4)nn23)cc1
    InChI
    InChI=1S/C20H19N5O3S/c1-2-27-15-7-5-14(6-8-15)20-23-22-17-9-10-19(24-25(17)20)29-13-18(26)21-12-16-4-3-11-28-16/h3-11H,2,12-13H2,1H3,(H,21,26)
    MOLECULAR FORMULA
    C20H19N5O3S
    CROSS REFERENCES
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    canSAR1620702

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 409.12
    AlogP 3.19
    HBond donors 1
    HBond acceptors 8
    Atoms 48
    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 canSAR1620702.