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canSAR1950384
FEATURES
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NAMES
    SMILES
    CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4cnc(NCC5(F)CCOCC5)c(Cl)c4)c(Oc4cccc5[nH]ncc45)c3)CC2)=C(c2ccc(Cl)cc2)C1
    InChI
    InChI=1S/C44H48Cl2FN7O5S/c1-43(2)13-12-30(35(24-43)29-6-8-31(45)9-7-29)27-53-16-18-54(19-17-53)32-10-11-34(40(22-32)59-39-5-3-4-38-36(39)26-50-51-38)42(55)52-60(56,57)33-23-37(46)41(48-25-33)49-28-44(47)14-20-58-21-15-44/h3-11,22-23,25-26H,12-21,24,27-28H2,1-2H3,(H,48,49)(H,50,51)(H,52,55)
    MOLECULAR FORMULA
    C44H48Cl2FN7O5S
    CROSS REFERENCES
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    canSAR1950384

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 875.28
    AlogP 8.89
    HBond donors 3
    HBond acceptors 12
    Atoms 108
    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 canSAR1950384.