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canSAR1445757
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NAMES
    SMILES
    COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCNC(=O)[C@@H](N)CCC(=O)O
    InChI
    InChI=1S/C20H28N6O6/c1-30-14-8-11(7-12-10-25-20(23)26-18(12)22)9-15(31-2)17(14)32-6-5-24-19(29)13(21)3-4-16(27)28/h8-10,13H,3-7,21H2,1-2H3,(H,24,29)(H,27,28)(H4,22,23,25,26)/t13-/m0/s1
    MOLECULAR FORMULA
    C20H28N6O6
    CROSS REFERENCES
    1445757 logo

    canSAR1445757

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 448.21
    AlogP -0.06
    HBond donors 8
    HBond acceptors 12
    Atoms 60
    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 canSAR1445757.