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canSAR2088084
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NAMES
    SMILES
    O=C(N[C@H]1CCCC[C@@H]1O)c1nn(Cc2ccc(-n3cccn3)cc2)c2cccnc12
    InChI
    InChI=1S/C23H24N6O2/c30-20-7-2-1-5-18(20)26-23(31)22-21-19(6-3-12-24-21)29(27-22)15-16-8-10-17(11-9-16)28-14-4-13-25-28/h3-4,6,8-14,18,20,30H,1-2,5,7,15H2,(H,26,31)/t18-,20-/m0/s1
    MOLECULAR FORMULA
    C23H24N6O2
    CROSS REFERENCES
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    canSAR2088084

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 416.20
    AlogP 2.70
    HBond donors 2
    HBond acceptors 8
    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 canSAR2088084.