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canSAR1975960
FEATURES
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NAMES
    SMILES
    CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(CCF)CC5)c([N+](=O)[O-])c4)c(Oc4cccc(F)c4F)c3)CC2)=C(c2ccc(Cl)cc2)C1
    InChI
    InChI=1S/C45H50ClF3N6O6S/c1-45(2)17-14-31(37(28-45)30-6-8-32(46)9-7-30)29-53-22-24-54(25-23-53)34-10-12-36(42(26-34)61-41-5-3-4-38(48)43(41)49)44(56)51-62(59,60)35-11-13-39(40(27-35)55(57)58)50-33-15-19-52(20-16-33)21-18-47/h3-13,26-27,33,50H,14-25,28-29H2,1-2H3,(H,51,56)
    MOLECULAR FORMULA
    C45H50ClF3N6O6S
    CROSS REFERENCES
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    canSAR1975960

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 894.32
    AlogP 9.07
    HBond donors 2
    HBond acceptors 12
    Atoms 112
    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 canSAR1975960.