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canSAR151428
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NAMES
    SMILES
    O=C(Nc1ccc(F)cc1F)N(CCCCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)CCCCc1ccccc1
    InChI
    InChI=1S/C37H38F2N4OS/c38-31-22-23-33(32(39)27-31)40-37(44)43(25-13-11-17-28-15-5-1-6-16-28)24-12-4-14-26-45-36-41-34(29-18-7-2-8-19-29)35(42-36)30-20-9-3-10-21-30/h1-3,5-10,15-16,18-23,27H,4,11-14,17,24-26H2,(H,40,44)(H,41,42)
    MOLECULAR FORMULA
    C37H38F2N4OS
    CROSS REFERENCES
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    canSAR151428

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 624.27
    AlogP 9.84
    HBond donors 2
    HBond acceptors 5
    Atoms 83
    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 canSAR151428.