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canSAR653090
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NAMES
    SMILES
    O=C(c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Br)cc2)c1Cn1cncn1)N1CCN(c2ccccc2)CC1
    InChI
    InChI=1S/C29H24BrCl2N7O/c30-21-8-6-20(7-9-21)28-24(17-38-19-33-18-34-38)27(35-39(28)26-11-10-22(31)16-25(26)32)29(40)37-14-12-36(13-15-37)23-4-2-1-3-5-23/h1-11,16,18-19H,12-15,17H2
    MOLECULAR FORMULA
    C29H24BrCl2N7O
    CROSS REFERENCES
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    canSAR653090

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 635.06
    AlogP 6.21
    HBond donors 0
    HBond acceptors 8
    Atoms 64
    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 canSAR653090.