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canSAR1059188
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NAMES
    SMILES
    CO[C@H]1CC[C@]2(CC1)Cc1ccc(-c3cc(Cl)cc(C#N)c3)cc1C21N=C(C)C(N)=N1
    InChI
    InChI=1S/C25H25ClN4O/c1-15-23(28)30-25(29-15)22-12-17(19-9-16(14-27)10-20(26)11-19)3-4-18(22)13-24(25)7-5-21(31-2)6-8-24/h3-4,9-12,21H,5-8,13H2,1-2H3,(H2,28,30)/t21-,24-,25?
    MOLECULAR FORMULA
    C25H25ClN4O
    CROSS REFERENCES
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    canSAR1059188

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 432.17
    AlogP 4.99
    HBond donors 2
    HBond acceptors 5
    Atoms 56
    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 canSAR1059188.