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canSAR1146376
FEATURES
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NAMES
    SMILES
    CCCCC(C(=O)OC)N1C(=O)/C(=C/c2ccc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCC)C(N)=O)cc2)SC1=S
    InChI
    InChI=1S/C36H55N9O7S2/c1-4-6-11-24(29(38)46)42-31(48)25(12-8-9-19-37)44-32(49)26(13-10-20-41-35(39)40)43-30(47)23-17-15-22(16-18-23)21-28-33(50)45(36(53)54-28)27(14-7-5-2)34(51)52-3/h15-18,21,24-27H,4-14,19-20,37H2,1-3H3,(H2,38,46)(H,42,48)(H,43,47)(H,44,49)(H4,39,40,41)/b28-21-/t24-,25-,26-,27?/m0/s1
    MOLECULAR FORMULA
    C36H55N9O7S2
    CROSS REFERENCES
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    canSAR1146376

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 789.37
    AlogP 1.76
    HBond donors 11
    HBond acceptors 16
    Atoms 109
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1146376.