canSAR1002977
FEATURES
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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)C2Cc3cccc(OC)c3CN2)C1=O
    InChI
    InChI=1S/C39H48F2N4O5/c1-5-24(2)39(44-25(3)46)16-17-45(38(39)49)34(15-14-26-10-7-6-8-11-26)37(48)43-33(20-27-18-29(40)22-30(41)19-27)36(47)32-21-28-12-9-13-35(50-4)31(28)23-42-32/h6-13,18-19,22,24,32-34,36,42,47H,5,14-17,20-21,23H2,1-4H3,(H,43,48)(H,44,46)/t24?,32?,33-,34-,36+,39-/m0/s1
    MOLECULAR FORMULA
    C39H48F2N4O5
    CROSS REFERENCES
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    canSAR1002977
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight690.36
    AlogP4.23
    HBond donors4
    HBond acceptors9
    Atoms98
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1002977.