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canSAR1265889
FEATURES
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NAMES
    SMILES
    CC(C)[C@H](NC(=O)CNC(=O)Nc1ccccc1F)C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCN(c2nsc3ccccc23)CC1)C(C)C
    InChI
    InChI=1S/C37H48FN9O6S/c1-22(2)31(42-30(49)21-40-37(53)41-26-12-7-6-11-25(26)38)34(50)39-20-29(48)43-32(23(3)4)36(52)47-15-9-13-27(47)35(51)46-18-16-45(17-19-46)33-24-10-5-8-14-28(24)54-44-33/h5-8,10-12,14,22-23,27,31-32H,9,13,15-21H2,1-4H3,(H,39,50)(H,42,49)(H,43,48)(H2,40,41,53)/t27-,31-,32-/m0/s1
    MOLECULAR FORMULA
    C37H48FN9O6S
    CROSS REFERENCES
    1265889 logo

    canSAR1265889

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 765.34
    AlogP 2.29
    HBond donors 5
    HBond acceptors 15
    Atoms 102
    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 canSAR1265889.