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canSAR1128118
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NAMES
    SMILES
    COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5c(Cl)cccc5Cl)c5ccccc5c4=O)cc3F)ccnc2cc1OCCCN1CCC(C)CC1
    InChI
    InChI=1S/C40H36Cl2FN5O5/c1-24-14-18-47(19-15-24)17-6-20-52-36-23-31-27(22-35(36)51-2)33(13-16-44-31)53-34-12-11-25(21-30(34)43)45-40(50)37-39(49)26-7-3-4-10-32(26)48(46-37)38-28(41)8-5-9-29(38)42/h3-5,7-13,16,21-24H,6,14-15,17-20H2,1-2H3,(H,45,50)
    MOLECULAR FORMULA
    C40H36Cl2FN5O5
    CROSS REFERENCES
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    canSAR1128118

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 755.21
    AlogP 8.93
    HBond donors 1
    HBond acceptors 10
    Atoms 89
    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 canSAR1128118.