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canSAR652394
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NAMES
    SMILES
    O=C(NC1(c2ccc(Cl)cc2)CC1)c1nn(-c2ccccc2Cl)c(-c2ccc(Br)cc2)c1Cn1cncn1
    InChI
    InChI=1S/C28H21BrCl2N6O/c29-20-9-5-18(6-10-20)26-22(15-36-17-32-16-33-36)25(35-37(26)24-4-2-1-3-23(24)31)27(38)34-28(13-14-28)19-7-11-21(30)12-8-19/h1-12,16-17H,13-15H2,(H,34,38)
    MOLECULAR FORMULA
    C28H21BrCl2N6O
    CROSS REFERENCES
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    canSAR652394

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 606.03
    AlogP 6.67
    HBond donors 1
    HBond acceptors 7
    Atoms 59
    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 canSAR652394.