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canSAR1004582
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NAMES
    SMILES
    CCC(C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2Cc3ccccc3CN2)C1=O
    InChI
    InChI=1S/C38H46F2N4O4/c1-4-24(2)38(43-25(3)45)16-17-44(37(38)48)34(15-14-26-10-6-5-7-11-26)36(47)42-33(20-27-18-30(39)22-31(40)19-27)35(46)32-21-28-12-8-9-13-29(28)23-41-32/h5-13,18-19,22,24,32-35,41,46H,4,14-17,20-21,23H2,1-3H3,(H,42,47)(H,43,45)/t24?,32-,33+,34+,35-,38+/m1/s1
    MOLECULAR FORMULA
    C38H46F2N4O4
    CROSS REFERENCES
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    canSAR1004582

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 660.35
    AlogP 4.22
    HBond donors 4
    HBond acceptors 8
    Atoms 94
    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 canSAR1004582.