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canSAR1962966
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NAMES
    SMILES
    Cc1cc(-c2c(C(C)C)ccc3[nH]ncc23)nc2c1CN(c1c(Cl)c(C3CC3)nn1C)CC2
    InChI
    InChI=1S/C26H29ClN6/c1-14(2)17-7-8-21-18(12-28-30-21)23(17)22-11-15(3)19-13-33(10-9-20(19)29-22)26-24(27)25(16-5-6-16)31-32(26)4/h7-8,11-12,14,16H,5-6,9-10,13H2,1-4H3,(H,28,30)
    MOLECULAR FORMULA
    C26H29ClN6
    CROSS REFERENCES
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    canSAR1962966

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 460.21
    AlogP 5.88
    HBond donors 1
    HBond acceptors 6
    Atoms 62
    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 canSAR1962966.