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canSAR1270119
FEATURES
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NAMES
    SMILES
    CC(C)[C@H](NC(=O)CNC(=S)Nc1ccc(F)cc1)C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCN(c2nsc3ccccc23)CC1)C(C)C
    InChI
    InChI=1S/C37H48FN9O5S2/c1-22(2)31(42-30(49)21-40-37(53)41-25-13-11-24(38)12-14-25)34(50)39-20-29(48)43-32(23(3)4)36(52)47-15-7-9-27(47)35(51)46-18-16-45(17-19-46)33-26-8-5-6-10-28(26)54-44-33/h5-6,8,10-14,22-23,27,31-32H,7,9,15-21H2,1-4H3,(H,39,50)(H,42,49)(H,43,48)(H2,40,41,53)/t27-,31-,32-/m0/s1
    MOLECULAR FORMULA
    C37H48FN9O5S2
    CROSS REFERENCES
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    canSAR1270119

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 781.32
    AlogP 2.46
    HBond donors 5
    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 canSAR1270119.