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canSAR1968271
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NAMES
    SMILES
    CC1CCC2=C(C#N)C(=N)C(C#N)(C#N)C(c3cccs3)C2C1
    InChI
    InChI=1S/C18H16N4S/c1-11-4-5-12-13(7-11)16(15-3-2-6-23-15)18(9-20,10-21)17(22)14(12)8-19/h2-3,6,11,13,16,22H,4-5,7H2,1H3
    MOLECULAR FORMULA
    C18H16N4S
    CROSS REFERENCES
    1968271 logo

    canSAR1968271

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 320.11
    AlogP 4.16
    HBond donors 1
    HBond acceptors 4
    Atoms 39
    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 canSAR1968271.