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canSAR1015019
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NAMES
    SMILES
    Nc1cc(-c2cccc(-c3ccccc3)c2)cnc1N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1
    InChI
    InChI=1S/C28H23Cl2N5/c29-21-14-24-25(15-22(21)30)34-27(33-24)26-10-5-11-35(26)28-23(31)13-20(16-32-28)19-9-4-8-18(12-19)17-6-2-1-3-7-17/h1-4,6-9,12-16,26H,5,10-11,31H2,(H,33,34)/t26-/m0/s1
    MOLECULAR FORMULA
    C28H23Cl2N5
    CROSS REFERENCES
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    canSAR1015019

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 499.13
    AlogP 7.52
    HBond donors 3
    HBond acceptors 5
    Atoms 58
    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 canSAR1015019.