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canSAR743024
FEATURES
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NAMES
    SMILES
    NCCCN(Cc1ccc(OCCc2ccccc2)cc1)Cc1ccc(OCCc2ccccc2)cc1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C33H38N2O2.C2HF3O2/c34-22-7-23-35(26-30-12-16-32(17-13-30)36-24-20-28-8-3-1-4-9-28)27-31-14-18-33(19-15-31)37-25-21-29-10-5-2-6-11-29;3-2(4,5)1(6)7/h1-6,8-19H,7,20-27,34H2;(H,6,7)
    MOLECULAR FORMULA
    C35H39F3N2O4
    CROSS REFERENCES
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    canSAR743024

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 608.29
    AlogP 6.91
    HBond donors 3
    HBond acceptors 6
    Atoms 83
    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 canSAR743024.