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canSAR1126410
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NAMES
    SMILES
    C#CC1=CC[C@H](N(CCC)CCCCNC(=O)c2ccc(-c3ccccc3)cc2)CC1
    InChI
    InChI=1S/C28H34N2O/c1-3-21-30(27-18-12-23(4-2)13-19-27)22-9-8-20-29-28(31)26-16-14-25(15-17-26)24-10-6-5-7-11-24/h2,5-7,10-12,14-17,27H,3,8-9,13,18-22H2,1H3,(H,29,31)/t27-/m0/s1
    MOLECULAR FORMULA
    C28H34N2O
    CROSS REFERENCES
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    canSAR1126410

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 414.27
    AlogP 5.69
    HBond donors 1
    HBond acceptors 3
    Atoms 65
    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 canSAR1126410.