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canSAR1132532
FEATURES
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NAMES
    SMILES
    CN1CCN(c2cc3nc(/C=C/c4ccc(NC(=O)CCN5CCCCC5)cc4)n(-c4ccccc4)c(=O)c3cc2F)CC1
    InChI
    InChI=1S/C35H39FN6O2/c1-39-20-22-41(23-21-39)32-25-31-29(24-30(32)36)35(44)42(28-8-4-2-5-9-28)33(38-31)15-12-26-10-13-27(14-11-26)37-34(43)16-19-40-17-6-3-7-18-40/h2,4-5,8-15,24-25H,3,6-7,16-23H2,1H3,(H,37,43)/b15-12+
    MOLECULAR FORMULA
    C35H39FN6O2
    CROSS REFERENCES
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    canSAR1132532

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 594.31
    AlogP 5.26
    HBond donors 1
    HBond acceptors 8
    Atoms 83
    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 canSAR1132532.