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canSAR747815
FEATURES
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NAMES
    SMILES
    CC(C)(C)c1ccc(COc2ccc(CN(CCCCN)Cc3ccc(OCc4ccc(C(C)(C)C)cc4)cc3)cc2)cc1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C40H52N2O2.C2HF3O2/c1-39(2,3)35-17-9-33(10-18-35)29-43-37-21-13-31(14-22-37)27-42(26-8-7-25-41)28-32-15-23-38(24-16-32)44-30-34-11-19-36(20-12-34)40(4,5)6;3-2(4,5)1(6)7/h9-24H,7-8,25-30,41H2,1-6H3;(H,6,7)
    MOLECULAR FORMULA
    C42H53F3N2O4
    CROSS REFERENCES
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    canSAR747815

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 706.40
    AlogP 9.81
    HBond donors 3
    HBond acceptors 6
    Atoms 104
    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 canSAR747815.