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canSAR1691385
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NAMES
    SMILES
    O=C(NCCc1cnc[nH]1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
    InChI
    InChI=1S/C22H20N6O2/c29-21(25-13-10-17-14-23-15-27-17)19-4-3-12-26-22(19)30-18-8-6-16(7-9-18)28-20-5-1-2-11-24-20/h1-9,11-12,14-15H,10,13H2,(H,23,27)(H,24,28)(H,25,29)
    MOLECULAR FORMULA
    C22H20N6O2
    CROSS REFERENCES
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    canSAR1691385

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 400.16
    AlogP 3.71
    HBond donors 3
    HBond acceptors 8
    Atoms 50
    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 canSAR1691385.