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canSAR1153957
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NAMES
    SMILES
    CN1C(=O)[C@]2(N=C1N)c1cc(-c3cncc(Cl)c3)ccc1O[C@H]1CCOC[C@@H]12
    InChI
    InChI=1S/C20H19ClN4O3/c1-25-18(26)20(24-19(25)22)14-7-11(12-6-13(21)9-23-8-12)2-3-16(14)28-17-4-5-27-10-15(17)20/h2-3,6-9,15,17H,4-5,10H2,1H3,(H2,22,24)/t15-,17-,20-/m0/s1
    MOLECULAR FORMULA
    C20H19ClN4O3
    CROSS REFERENCES
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    canSAR1153957

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 398.11
    AlogP 2.18
    HBond donors 2
    HBond acceptors 7
    Atoms 47
    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 canSAR1153957.