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canSAR99075
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NAMES
    SMILES
    CC1(C)Oc2ccc(C#N)cc2[C@@H](Nc2nc3cc(Cl)ccc3o2)[C@@H]1O
    InChI
    InChI=1S/C19H16ClN3O3/c1-19(2)17(24)16(12-7-10(9-21)3-5-14(12)26-19)23-18-22-13-8-11(20)4-6-15(13)25-18/h3-8,16-17,24H,1-2H3,(H,22,23)/t16-,17+/m1/s1
    MOLECULAR FORMULA
    C19H16ClN3O3
    CROSS REFERENCES
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    canSAR99075

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 369.09
    AlogP 4.04
    HBond donors 2
    HBond acceptors 6
    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 canSAR99075.