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canSAR1086364
FEATURES
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NAMES
    SMILES
    N=C(N)NCC[C@@H](N)C(=O)NCCCCCCCCNCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccc(O)cc1
    InChI
    InChI=1S/C29H51N9O5/c30-23(13-18-37-29(32)33)27(42)35-16-6-4-2-1-3-5-14-34-15-7-8-17-36-28(43)24(20-25(31)40)38-26(41)19-21-9-11-22(39)12-10-21/h9-12,23-24,34,39H,1-8,13-20,30H2,(H2,31,40)(H,35,42)(H,36,43)(H,38,41)(H4,32,33,37)/t23-,24+/m1/s1
    MOLECULAR FORMULA
    C29H51N9O5
    CROSS REFERENCES
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    canSAR1086364

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 605.40
    AlogP -0.56
    HBond donors 13
    HBond acceptors 14
    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 canSAR1086364.