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canSAR1014385
FEATURES
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NAMES
    SMILES
    COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](C)N2CC[C@@](CC3CC3)(NC(C)=O)C2=O)c1
    InChI
    InChI=1S/C31H40F2N4O5/c1-19(37-10-9-31(30(37)41,36-20(2)38)16-21-7-8-21)29(40)35-27(14-23-11-24(32)15-25(33)12-23)28(39)18-34-17-22-5-4-6-26(13-22)42-3/h4-6,11-13,15,19,21,27-28,34,39H,7-10,14,16-18H2,1-3H3,(H,35,40)(H,36,38)/t19-,27-,28+,31-/m0/s1
    MOLECULAR FORMULA
    C31H40F2N4O5
    CROSS REFERENCES
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    canSAR1014385

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 586.30
    AlogP 2.45
    HBond donors 4
    HBond acceptors 9
    Atoms 82
    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 canSAR1014385.