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canSAR1105482
FEATURES
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NAMES
    SMILES
    COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccc(Cl)c(C(F)(F)F)c5)c5ccccc5c4=O)cc3F)ccnc2cc1OCCCN1CCC(C)CC1
    InChI
    InChI=1S/C41H36ClF4N5O5/c1-24-13-17-50(18-14-24)16-5-19-55-37-23-32-28(22-36(37)54-2)34(12-15-47-32)56-35-11-8-25(20-31(35)43)48-40(53)38-39(52)27-6-3-4-7-33(27)51(49-38)26-9-10-30(42)29(21-26)41(44,45)46/h3-4,6-12,15,20-24H,5,13-14,16-19H2,1-2H3,(H,48,53)
    MOLECULAR FORMULA
    C41H36ClF4N5O5
    CROSS REFERENCES
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    canSAR1105482

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 789.23
    AlogP 9.30
    HBond donors 1
    HBond acceptors 10
    Atoms 92
    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 canSAR1105482.