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canSAR834450
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NAMES
    SMILES
    CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4cccc(O)c4)c(-c4ccncc4)nn23)c(Cl)c1
    InChI
    InChI=1S/C29H25ClN6O/c1-34-16-22-14-21(34)17-35(22)20-5-6-24(25(30)15-20)26-9-12-32-29-27(19-3-2-4-23(37)13-19)28(33-36(26)29)18-7-10-31-11-8-18/h2-13,15,21-22,37H,14,16-17H2,1H3/t21-,22-/m0/s1
    MOLECULAR FORMULA
    C29H25ClN6O
    CROSS REFERENCES
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    canSAR834450

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 508.18
    AlogP 5.38
    HBond donors 1
    HBond acceptors 7
    Atoms 62
    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 canSAR834450.