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canSAR502852
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NAMES
    SMILES
    CCCCc1nc(Cl)c(C(O)c2ccccc2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
    InChI
    InChI=1S/C28H27ClN6O/c1-2-3-13-24-30-27(29)25(26(36)21-9-5-4-6-10-21)35(24)18-19-14-16-20(17-15-19)22-11-7-8-12-23(22)28-31-33-34-32-28/h4-12,14-17,26,36H,2-3,13,18H2,1H3,(H,31,32,33,34)
    MOLECULAR FORMULA
    C28H27ClN6O
    CROSS REFERENCES
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    canSAR502852

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 498.19
    AlogP 5.86
    HBond donors 2
    HBond acceptors 7
    Atoms 63
    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 canSAR502852.