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canSAR843490
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NAMES
    SMILES
    NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3cnc4ccccc4c3)sc12
    InChI
    InChI=1S/C22H21N5OS/c23-21(28)17-12-26-22(27-15-5-3-7-24-11-15)16-9-19(29-20(16)17)14-8-13-4-1-2-6-18(13)25-10-14/h1-2,4,6,8-10,12,15,24H,3,5,7,11H2,(H2,23,28)(H,26,27)/t15-/m0/s1
    MOLECULAR FORMULA
    C22H21N5OS
    CROSS REFERENCES
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    canSAR843490

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 403.15
    AlogP 3.77
    HBond donors 4
    HBond acceptors 6
    Atoms 50
    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 canSAR843490.