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canSAR1156321
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NAMES
    SMILES
    CC(C)n1cnc2c(N(Cc3ccccc3)Cc3ccccc3)nc(N3CCC[C@@H]3CO)nc21
    InChI
    InChI=1S/C27H32N6O/c1-20(2)33-19-28-24-25(29-27(30-26(24)33)32-15-9-14-23(32)18-34)31(16-21-10-5-3-6-11-21)17-22-12-7-4-8-13-22/h3-8,10-13,19-20,23,34H,9,14-18H2,1-2H3/t23-/m1/s1
    MOLECULAR FORMULA
    C27H32N6O
    CROSS REFERENCES
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    canSAR1156321

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 456.26
    AlogP 4.58
    HBond donors 1
    HBond acceptors 7
    Atoms 66
    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 canSAR1156321.