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canSAR1635217
FEATURES
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NAMES
    SMILES
    CC#C[C@@H](c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1)c1oc(=O)[nH]c1O
    InChI
    InChI=1S/C21H14F5NO5/c1-2-3-14(17-18(28)27-20(29)32-17)11-4-7-13(8-5-11)30-15-9-6-12(21(24,25)26)10-16(15)31-19(22)23/h4-10,14,19,28H,1H3,(H,27,29)/t14-/m0/s1
    MOLECULAR FORMULA
    C21H14F5NO5
    CROSS REFERENCES
    1635217 logo

    canSAR1635217

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 455.08
    AlogP 5.24
    HBond donors 2
    HBond acceptors 6
    Atoms 46
    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 canSAR1635217.