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canSAR1596018
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NAMES
    SMILES
    O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1ccc(Cl)cn1)C2
    InChI
    InChI=1S/C20H19ClN6O/c21-13-5-8-19(22-12-13)25-16-11-14-6-7-18(16)26(14)20(28)15-3-1-2-4-17(15)27-23-9-10-24-27/h1-5,8-10,12,14,16,18H,6-7,11H2,(H,22,25)
    MOLECULAR FORMULA
    C20H19ClN6O
    CROSS REFERENCES
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    canSAR1596018

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 394.13
    AlogP 3.17
    HBond donors 1
    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 canSAR1596018.