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canSAR1982479
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NAMES
    SMILES
    O=C(NCCc1ccccc1)c1ccc(CSc2nc3ccncc3n2Cc2ccccc2)cc1
    InChI
    InChI=1S/C29H26N4OS/c34-28(31-18-15-22-7-3-1-4-8-22)25-13-11-24(12-14-25)21-35-29-32-26-16-17-30-19-27(26)33(29)20-23-9-5-2-6-10-23/h1-14,16-17,19H,15,18,20-21H2,(H,31,34)
    MOLECULAR FORMULA
    C29H26N4OS
    CROSS REFERENCES
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    canSAR1982479

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 478.18
    AlogP 5.74
    HBond donors 1
    HBond acceptors 5
    Atoms 61
    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 canSAR1982479.