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canSAR498880
FEATURES
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NAMES
    SMILES
    CC(=O)c1cc(CN2C(=O)N(Cc3ccc(F)c(C(C)=O)c3)[C@H](Cc3ccc4c(c3)OCO4)[C@H](O)[C@@H](O)[C@H]2Cc2ccc3c(c2)OCO3)ccc1F
    InChI
    InChI=1S/C39H36F2N2O9/c1-21(44)27-11-25(3-7-29(27)40)17-42-31(13-23-5-9-33-35(15-23)51-19-49-33)37(46)38(47)32(14-24-6-10-34-36(16-24)52-20-50-34)43(39(42)48)18-26-4-8-30(41)28(12-26)22(2)45/h3-12,15-16,31-32,37-38,46-47H,13-14,17-20H2,1-2H3/t31-,32-,37+,38+/m1/s1
    MOLECULAR FORMULA
    C39H36F2N2O9
    CROSS REFERENCES
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    canSAR498880

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 714.24
    AlogP 5.21
    HBond donors 2
    HBond acceptors 11
    Atoms 88
    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 canSAR498880.