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canSAR1093405
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NAMES
    SMILES
    OC[C@@H](Nc1ncnc2oc(-c3ccccc3)c(Cl)c12)c1ccccc1
    InChI
    InChI=1S/C20H16ClN3O2/c21-17-16-19(24-15(11-25)13-7-3-1-4-8-13)22-12-23-20(16)26-18(17)14-9-5-2-6-10-14/h1-10,12,15,25H,11H2,(H,22,23,24)/t15-/m1/s1
    MOLECULAR FORMULA
    C20H16ClN3O2
    CROSS REFERENCES
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    canSAR1093405

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 365.09
    AlogP 4.69
    HBond donors 2
    HBond acceptors 5
    Atoms 42
    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 canSAR1093405.