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canSAR1832379
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NAMES
    SMILES
    C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc4[nH]ccc4c3)nc2n1
    InChI
    InChI=1S/C25H28N6O2/c1-16-14-32-11-9-30(16)24-20-4-6-22(18-3-5-21-19(13-18)7-8-26-21)27-23(20)28-25(29-24)31-10-12-33-15-17(31)2/h3-8,13,16-17,26H,9-12,14-15H2,1-2H3/t16-,17-/m0/s1
    MOLECULAR FORMULA
    C25H28N6O2
    CROSS REFERENCES
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    canSAR1832379

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 444.23
    AlogP 3.62
    HBond donors 1
    HBond acceptors 8
    Atoms 61
    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 canSAR1832379.