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canSAR1124989
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NAMES
    SMILES
    CC(C)(C)c1ccc(-c2nn(CCCN3CCN(c4ccccc4)CC3)c(=S)[nH]2)cc1
    InChI
    InChI=1S/C25H33N5S/c1-25(2,3)21-12-10-20(11-13-21)23-26-24(31)30(27-23)15-7-14-28-16-18-29(19-17-28)22-8-5-4-6-9-22/h4-6,8-13H,7,14-19H2,1-3H3,(H,26,27,31)
    MOLECULAR FORMULA
    C25H33N5S
    CROSS REFERENCES
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    canSAR1124989

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 435.25
    AlogP 5.12
    HBond donors 1
    HBond acceptors 5
    Atoms 64
    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 canSAR1124989.