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canSAR1114021
FEATURES
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NAMES
    SMILES
    COc1cc2c(Oc3ccc(NC(=O)c4cc(-c5ccccc5)nc5ccccc45)cc3F)ccnc2cc1OCCCN1CCOCC1
    InChI
    InChI=1S/C39H35FN4O5/c1-46-37-24-30-34(25-38(37)48-19-7-16-44-17-20-47-21-18-44)41-15-14-35(30)49-36-13-12-27(22-31(36)40)42-39(45)29-23-33(26-8-3-2-4-9-26)43-32-11-6-5-10-28(29)32/h2-6,8-15,22-25H,7,16-21H2,1H3,(H,42,45)
    MOLECULAR FORMULA
    C39H35FN4O5
    CROSS REFERENCES
    1114021 logo

    canSAR1114021

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 658.26
    AlogP 7.74
    HBond donors 1
    HBond acceptors 9
    Atoms 84
    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 canSAR1114021.