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canSAR1720968
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NAMES
    SMILES
    CC(O)(c1ccccc1)c1ccc(-c2nc([C@H]3C[C@@](C)(O)C3)n3ccnc(N)c23)c(Cl)c1
    InChI
    InChI=1S/C25H25ClN4O2/c1-24(31)13-15(14-24)23-29-20(21-22(27)28-10-11-30(21)23)18-9-8-17(12-19(18)26)25(2,32)16-6-4-3-5-7-16/h3-12,15,31-32H,13-14H2,1-2H3,(H2,27,28)/t15-,24+,25?
    MOLECULAR FORMULA
    C25H25ClN4O2
    CROSS REFERENCES
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    canSAR1720968

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 448.17
    AlogP 4.52
    HBond donors 4
    HBond acceptors 6
    Atoms 57
    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 canSAR1720968.