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canSAR1066346
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NAMES
    SMILES
    O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)[C@H](Cc1ccccc1)NC1(c2ncccn2)CC1
    InChI
    InChI=1S/C26H24N6O2/c33-23-21(16-20(17-30-23)19-7-13-27-14-8-19)31-24(34)22(15-18-5-2-1-3-6-18)32-26(9-10-26)25-28-11-4-12-29-25/h1-8,11-14,16-17,22,32H,9-10,15H2,(H,30,33)(H,31,34)/t22-/m0/s1
    MOLECULAR FORMULA
    C26H24N6O2
    CROSS REFERENCES
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    canSAR1066346

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 452.20
    AlogP 3.06
    HBond donors 3
    HBond acceptors 8
    Atoms 58
    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 canSAR1066346.