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canSAR1086535
FEATURES
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NAMES
    SMILES
    N=C(N)NCC[C@@H](N)C(=O)NCCCCCNCCCCCCCNC(=O)[C@H](CC(=O)O)NC(=O)Cc1ccc(O)cc1O
    InChI
    InChI=1S/C29H50N8O7/c30-22(11-16-36-29(31)32)27(43)34-14-8-4-6-13-33-12-5-2-1-3-7-15-35-28(44)23(19-26(41)42)37-25(40)17-20-9-10-21(38)18-24(20)39/h9-10,18,22-23,33,38-39H,1-8,11-17,19,30H2,(H,34,43)(H,35,44)(H,37,40)(H,41,42)(H4,31,32,36)/t22-,23+/m1/s1
    MOLECULAR FORMULA
    C29H50N8O7
    CROSS REFERENCES
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    canSAR1086535

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 622.38
    AlogP -0.26
    HBond donors 13
    HBond acceptors 15
    Atoms 94
    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 canSAR1086535.