canSAR1087311
FEATURES
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NAMES
    SMILES
    CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)Nc2nc(Cl)nc3c2CCN(C2CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC2)C3)cc1S(=O)(=O)C(F)(F)F
    InChI
    InChI=1S/C44H48Cl2F3N7O4S3/c1-54(2)22-18-33(29-61-35-9-4-3-5-10-35)50-39-17-16-36(26-41(39)62(57,58)44(47,48)49)63(59,60)53-42-38-21-25-56(28-40(38)51-43(46)52-42)34-19-23-55(24-20-34)27-31-8-6-7-11-37(31)30-12-14-32(45)15-13-30/h3-17,26,33-34,50H,18-25,27-29H2,1-2H3,(H,51,52,53)/t33-/m1/s1
    MOLECULAR FORMULA
    C44H48Cl2F3N7O4S3
    CROSS REFERENCES
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    canSAR1087311
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight961.23
    AlogP9.09
    HBond donors2
    HBond acceptors11
    Atoms111
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1087311.