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canSAR1588585
FEATURES
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NAMES
    SMILES
    COC(=O)[C@@]12CCCCN1[C@H](c1ccc(-c3cccc(Cl)c3)c(OC)c1)[C@H]1C(=O)N(C)C(=O)[C@H]12.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C26H27ClN2O5.C2HF3O2/c1-28-23(30)20-21(24(28)31)26(25(32)34-3)11-4-5-12-29(26)22(20)16-9-10-18(19(14-16)33-2)15-7-6-8-17(27)13-15;3-2(4,5)1(6)7/h6-10,13-14,20-22H,4-5,11-12H2,1-3H3;(H,6,7)/t20-,21-,22+,26-;/m0./s1
    MOLECULAR FORMULA
    C28H28ClF3N2O7
    CROSS REFERENCES
    1588585 logo

    canSAR1588585

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 596.15
    AlogP 4.33
    HBond donors 1
    HBond acceptors 9
    Atoms 69
    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 canSAR1588585.