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canSAR1717178
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NAMES
    SMILES
    CCN1CCCC1CNC(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1C(C)C
    InChI
    InChI=1S/C22H28N6OS/c1-4-27-11-5-7-16(27)13-24-21(29)17-14-25-28(20(17)15(2)3)22-23-10-9-18(26-22)19-8-6-12-30-19/h6,8-10,12,14-16H,4-5,7,11,13H2,1-3H3,(H,24,29)
    MOLECULAR FORMULA
    C22H28N6OS
    CROSS REFERENCES
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    canSAR1717178

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 424.20
    AlogP 3.73
    HBond donors 1
    HBond acceptors 7
    Atoms 58
    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 canSAR1717178.