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canSAR1132149
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NAMES
    SMILES
    CCOc1ccc(CCN[C@H](CN[C@H](CNC)Cc2ccc3ccccc3c2)Cc2ccc3ccccc3c2)cc1
    InChI
    InChI=1S/C37H43N3O/c1-3-41-37-18-14-28(15-19-37)20-21-39-36(25-30-13-17-32-9-5-7-11-34(32)23-30)27-40-35(26-38-2)24-29-12-16-31-8-4-6-10-33(31)22-29/h4-19,22-23,35-36,38-40H,3,20-21,24-27H2,1-2H3/t35-,36-/m0/s1
    MOLECULAR FORMULA
    C37H43N3O
    CROSS REFERENCES
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    canSAR1132149

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 545.34
    AlogP 6.56
    HBond donors 3
    HBond acceptors 4
    Atoms 84
    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 canSAR1132149.