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canSAR561594
FEATURES
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NAMES
    SMILES
    CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c(-c2ccccc2)c1C(=O)NC1CC1
    InChI
    InChI=1S/C30H35FN2O5/c1-18(2)33-25(15-14-23(34)16-24(35)17-26(36)37)27(20-8-10-21(31)11-9-20)28(19-6-4-3-5-7-19)29(33)30(38)32-22-12-13-22/h3-11,18,22-24,34-35H,12-17H2,1-2H3,(H,32,38)(H,36,37)/t23-,24-/m1/s1
    MOLECULAR FORMULA
    C30H35FN2O5
    CROSS REFERENCES
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    canSAR561594

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 522.25
    AlogP 4.95
    HBond donors 4
    HBond acceptors 7
    Atoms 73
    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 canSAR561594.