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canSAR1863899
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NAMES
    SMILES
    COC(=O)C1=C(c2cccc(OCc3ccccc3)c2)C[C@@H]2CC[C@H]1N2C(=O)NCc1cc(C)oc1C(F)(F)F
    InChI
    InChI=1S/C30H29F3N2O5/c1-18-13-21(27(40-18)30(31,32)33)16-34-29(37)35-22-11-12-25(35)26(28(36)38-2)24(15-22)20-9-6-10-23(14-20)39-17-19-7-4-3-5-8-19/h3-10,13-14,22,25H,11-12,15-17H2,1-2H3,(H,34,37)/t22-,25+/m0/s1
    MOLECULAR FORMULA
    C30H29F3N2O5
    CROSS REFERENCES
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    canSAR1863899

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 554.20
    AlogP 6.26
    HBond donors 1
    HBond acceptors 7
    Atoms 69
    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 canSAR1863899.