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canSAR547889
FEATURES
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NAMES
    SMILES
    COc1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1OCCN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1
    InChI
    InChI=1S/C30H29Cl2F3N2O4/c1-40-26-10-8-22(36-28(38)11-6-20-4-2-3-5-24(20)31)19-27(26)41-17-16-37-14-12-29(39,13-15-37)21-7-9-25(32)23(18-21)30(33,34)35/h2-11,18-19,39H,12-17H2,1H3,(H,36,38)/b11-6+
    MOLECULAR FORMULA
    C30H29Cl2F3N2O4
    CROSS REFERENCES
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    canSAR547889

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 608.15
    AlogP 7.04
    HBond donors 2
    HBond acceptors 6
    Atoms 70
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR547889.