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canSAR1636473
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NAMES
    SMILES
    O=C(Nc1ccccc1Cl)N1CCCN(c2nc(-c3ccccc3)ns2)CC1
    InChI
    InChI=1S/C20H20ClN5OS/c21-16-9-4-5-10-17(16)22-19(27)25-11-6-12-26(14-13-25)20-23-18(24-28-20)15-7-2-1-3-8-15/h1-5,7-10H,6,11-14H2,(H,22,27)
    MOLECULAR FORMULA
    C20H20ClN5OS
    CROSS REFERENCES
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    canSAR1636473

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 413.11
    AlogP 4.60
    HBond donors 1
    HBond acceptors 6
    Atoms 48
    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 canSAR1636473.