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canSAR1112588
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NAMES
    SMILES
    CCCN1CCC(CNCc2cn(-c3ccc(C(F)(F)F)cc3)nc2-c2ccc(OC(F)(F)F)cc2)CC1
    InChI
    InChI=1S/C27H30F6N4O/c1-2-13-36-14-11-19(12-15-36)16-34-17-21-18-37(23-7-5-22(6-8-23)26(28,29)30)35-25(21)20-3-9-24(10-4-20)38-27(31,32)33/h3-10,18-19,34H,2,11-17H2,1H3
    MOLECULAR FORMULA
    C27H30F6N4O
    CROSS REFERENCES
    1112588 logo

    canSAR1112588

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 540.23
    AlogP 6.67
    HBond donors 1
    HBond acceptors 5
    Atoms 68
    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 canSAR1112588.