canSAR2256084
FEATURES
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NAMES
    SMILES
    O=C(NS(=O)(=O)c1ccc(OCC2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCN(Cc3ccc(C(F)(F)F)cc3-c3ccc(Cl)cc3)CC2)cc1Oc1ccc2[nH]ccc2c1
    InChI
    InChI=1S/C45H41ClF3N5O8S/c46-34-5-2-30(3-6-34)39-24-33(45(47,48)49)4-1-32(39)27-52-17-19-53(20-18-52)35-7-10-38(43(25-35)62-36-8-11-40-31(23-36)13-16-50-40)44(55)51-63(58,59)37-9-12-42(41(26-37)54(56)57)61-28-29-14-21-60-22-15-29/h1-13,16,23-26,29,50H,14-15,17-22,27-28H2,(H,51,55)
    MOLECULAR FORMULA
    C45H41ClF3N5O8S
    CROSS REFERENCES
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    canSAR2256084
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight903.23
    AlogP9.45
    HBond donors2
    HBond acceptors13
    Atoms104
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2256084.