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canSAR726257
FEATURES
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NAMES
    SMILES
    CCCCCCOc1cc(/C=C/C(=O)NCCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(OCCCCCC)c1O
    InChI
    InChI=1S/C37H57NO5/c1-9-11-13-15-21-42-31-25-27(26-32(35(31)41)43-22-16-14-12-10-2)17-18-33(39)38-20-19-28-23-29(36(3,4)5)34(40)30(24-28)37(6,7)8/h17-18,23-26,40-41H,9-16,19-22H2,1-8H3,(H,38,39)/b18-17+
    MOLECULAR FORMULA
    C37H57NO5
    CROSS REFERENCES
    726257 logo

    canSAR726257

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 595.42
    AlogP 8.98
    HBond donors 3
    HBond acceptors 6
    Atoms 100
    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 canSAR726257.