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canSAR650259
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NAMES
    SMILES
    N#CCc1c(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1
    InChI
    InChI=1S/C27H20Cl2N4O2/c28-18-11-9-16(10-12-18)26-20(13-14-30)25(32-33(26)22-8-4-3-7-21(22)29)27(35)31-24-19-6-2-1-5-17(19)15-23(24)34/h1-12,23-24,34H,13,15H2,(H,31,35)/t23-,24+/m0/s1
    MOLECULAR FORMULA
    C27H20Cl2N4O2
    CROSS REFERENCES
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    canSAR650259

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 502.10
    AlogP 5.30
    HBond donors 2
    HBond acceptors 6
    Atoms 55
    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 canSAR650259.