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canSAR2091108
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NAMES
    SMILES
    Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC4CC3C4)n2)cc1Cl
    InChI
    InChI=1S/C19H21ClN6O/c20-15-3-11(6-22-18(15)21)16-5-17(25-8-14-4-13(25)9-27-14)24-19(23-16)26-7-10-1-12(26)2-10/h3,5-6,10,12-14H,1-2,4,7-9H2,(H2,21,22)/t10?,12?,13-,14-/m0/s1
    MOLECULAR FORMULA
    C19H21ClN6O
    CROSS REFERENCES
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    canSAR2091108

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 384.15
    AlogP 2.35
    HBond donors 2
    HBond acceptors 7
    Atoms 48
    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 canSAR2091108.