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canSAR2021618
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NAMES
    SMILES
    Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(Cl)cc2Cl)c1CN1CCCCC1
    InChI
    InChI=1S/C18H19Cl2N9O2/c19-12-5-4-11(13(20)8-12)9-22-24-18(30)15-14(10-28-6-2-1-3-7-28)29(27-23-15)17-16(21)25-31-26-17/h4-5,8-9H,1-3,6-7,10H2,(H2,21,25)(H,24,30)
    MOLECULAR FORMULA
    C18H19Cl2N9O2
    CROSS REFERENCES
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    canSAR2021618

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 463.10
    AlogP 2.29
    HBond donors 3
    HBond acceptors 11
    Atoms 50
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2021618.