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canSAR2052786
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NAMES
    SMILES
    CC(C)OCCOc1cccc(-c2cn([C@H]3C[C@@H](CN4CCC4)C3)c3ncnc(N)c23)c1
    InChI
    InChI=1S/C25H33N5O2/c1-17(2)31-9-10-32-21-6-3-5-19(13-21)22-15-30(25-23(22)24(26)27-16-28-25)20-11-18(12-20)14-29-7-4-8-29/h3,5-6,13,15-18,20H,4,7-12,14H2,1-2H3,(H2,26,27,28)/t18-,20+
    MOLECULAR FORMULA
    C25H33N5O2
    CROSS REFERENCES
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    canSAR2052786

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 435.26
    AlogP 4.14
    HBond donors 2
    HBond acceptors 7
    Atoms 65
    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 canSAR2052786.