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canSAR1130194
FEATURES
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NAMES
    SMILES
    COc1ccc(OC)c(/C=N/NC(=O)Nc2ccc(Oc3ccnc4cc(OCCCN5CCCCC5)c(OC)cc34)c(F)c2)c1
    InChI
    InChI=1S/C34H38FN5O6/c1-42-25-9-11-29(43-2)23(18-25)22-37-39-34(41)38-24-8-10-31(27(35)19-24)46-30-12-13-36-28-21-33(32(44-3)20-26(28)30)45-17-7-16-40-14-5-4-6-15-40/h8-13,18-22H,4-7,14-17H2,1-3H3,(H2,38,39,41)/b37-22+
    MOLECULAR FORMULA
    C34H38FN5O6
    CROSS REFERENCES
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    canSAR1130194

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 631.28
    AlogP 6.60
    HBond donors 2
    HBond acceptors 11
    Atoms 84
    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 canSAR1130194.