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canSAR2049441
FEATURES
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NAMES
    SMILES
    CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)OCc1ccccc1
    InChI
    InChI=1S/C40H41FN2O5/c1-27(2)38-37(40(47)42-32-16-10-5-11-17-32)36(29-14-8-4-9-15-29)39(30-18-20-31(41)21-19-30)43(38)23-22-33(44)24-34(45)25-35(46)48-26-28-12-6-3-7-13-28/h3-21,27,33-34,44-45H,22-26H2,1-2H3,(H,42,47)/t33-,34-/m1/s1
    MOLECULAR FORMULA
    C40H41FN2O5
    CROSS REFERENCES
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    canSAR2049441

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 648.30
    AlogP 7.97
    HBond donors 3
    HBond acceptors 7
    Atoms 89
    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 canSAR2049441.