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canSAR990648
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NAMES
    SMILES
    CCc1cc(C2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)c(C)s1
    InChI
    InChI=1S/C21H21N5OS/c1-4-17-9-18(13(2)28-17)21(19(27)26(3)20(22)25-21)16-7-5-6-14(8-16)15-10-23-12-24-11-15/h5-12H,4H2,1-3H3,(H2,22,25)
    MOLECULAR FORMULA
    C21H21N5OS
    CROSS REFERENCES
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    canSAR990648

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 391.15
    AlogP 3.11
    HBond donors 2
    HBond acceptors 6
    Atoms 49
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR990648.