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canSAR353125
FEATURES
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NAMES
    SMILES
    COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(C#Cc3ccc4[nH]c(C(=O)N5C[C@@H](CCl)c6c5cc(O)c5[nH]c(C(F)(F)F)c(C(=O)OC)c65)cc4c3)ccc2[nH]1
    InChI
    InChI=1S/C48H32Cl2F6N6O8/c1-69-45(67)37-35-33-23(15-49)17-61(29(33)13-31(63)39(35)59-41(37)47(51,52)53)43(65)27-11-21-9-19(5-7-25(21)57-27)3-4-20-6-8-26-22(10-20)12-28(58-26)44(66)62-18-24(16-50)34-30(62)14-32(64)40-36(34)38(46(68)70-2)42(60-40)48(54,55)56/h5-14,23-24,57-60,63-64H,15-18H2,1-2H3/t23-,24-/m1/s1
    MOLECULAR FORMULA
    C48H32Cl2F6N6O8
    CROSS REFERENCES
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    canSAR353125

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1004.16
    AlogP 10.00
    HBond donors 6
    HBond acceptors 14
    Atoms 102
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR353125.