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canSAR2052459
FEATURES
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NAMES
    SMILES
    Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N2CCN([C@@H]3CCN(C(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)C[C@@H]3c3ccccc3)CC2)C1=O
    InChI
    InChI=1S/C54H64F6N10O6/c1-32-23-40(71)24-33(2)41(32)29-43(61)48(73)65-44(13-8-16-64-52(62)63)49(74)66-45-27-35-11-6-7-12-36(35)30-69(51(45)76)18-15-47(72)68-21-19-67(20-22-68)46-14-17-70(31-42(46)34-9-4-3-5-10-34)50(75)37-25-38(53(55,56)57)28-39(26-37)54(58,59)60/h3-7,9-12,23-26,28,42-46,71H,8,13-22,27,29-31,61H2,1-2H3,(H,65,73)(H,66,74)(H4,62,63,64)/t42-,43+,44-,45+,46-/m1/s1
    MOLECULAR FORMULA
    C54H64F6N10O6
    CROSS REFERENCES
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    canSAR2052459

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1062.49
    AlogP 4.97
    HBond donors 9
    HBond acceptors 16
    Atoms 140
    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 canSAR2052459.