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canSAR1114444
FEATURES
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NAMES
    SMILES
    COc1cc2c(Oc3ccc(NC(=O)c4nccc(-c5ccc(C)cc5)n4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
    InChI
    InChI=1S/C36H37FN6O4/c1-24-5-7-25(8-6-24)29-11-13-39-35(41-29)36(44)40-26-9-10-32(28(37)21-26)47-31-12-14-38-30-23-34(33(45-3)22-27(30)31)46-20-4-15-43-18-16-42(2)17-19-43/h5-14,21-23H,4,15-20H2,1-3H3,(H,40,44)
    MOLECULAR FORMULA
    C36H37FN6O4
    CROSS REFERENCES
    1114444 logo

    canSAR1114444

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 636.29
    AlogP 6.21
    HBond donors 1
    HBond acceptors 10
    Atoms 84
    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 canSAR1114444.