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canSAR1125103
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NAMES
    SMILES
    CN1CCN(Cc2ccc(C(=O)Nc3ccc(-c4cncc(C#N)c4Nc4ccc(OCc5ccccn5)c(Cl)c4)cc3)cc2)CC1
    InChI
    InChI=1S/C37H34ClN7O2/c1-44-16-18-45(19-17-44)24-26-5-7-28(8-6-26)37(46)43-30-11-9-27(10-12-30)33-23-40-22-29(21-39)36(33)42-31-13-14-35(34(38)20-31)47-25-32-4-2-3-15-41-32/h2-15,20,22-23H,16-19,24-25H2,1H3,(H,40,42)(H,43,46)
    MOLECULAR FORMULA
    C37H34ClN7O2
    CROSS REFERENCES
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    canSAR1125103

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 643.25
    AlogP 6.99
    HBond donors 2
    HBond acceptors 9
    Atoms 81
    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 canSAR1125103.