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canSAR1431713
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NAMES
    SMILES
    Cc1cc(O)nc(N/N=C/C2=C(N3CCOCC3)/C(=C\c3ccc(Cl)cc3)CC2)n1
    InChI
    InChI=1S/C22H24ClN5O2/c1-15-12-20(29)26-22(25-15)27-24-14-18-5-4-17(13-16-2-6-19(23)7-3-16)21(18)28-8-10-30-11-9-28/h2-3,6-7,12-14H,4-5,8-11H2,1H3,(H2,25,26,27,29)/b17-13-,24-14+
    MOLECULAR FORMULA
    C22H24ClN5O2
    CROSS REFERENCES
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    canSAR1431713

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 425.16
    AlogP 4.01
    HBond donors 2
    HBond acceptors 7
    Atoms 54
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1431713.