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canSAR152305
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)Cc1ccc(NC(=N)N)cc1)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(N)=O
    InChI
    InChI=1S/C30H43ClN10O4/c1-17(2)13-24(28(45)40-23(26(32)43)15-19-5-3-6-20(31)14-19)41-27(44)22(7-4-12-37-29(33)34)39-25(42)16-18-8-10-21(11-9-18)38-30(35)36/h3,5-6,8-11,14,17,22-24H,4,7,12-13,15-16H2,1-2H3,(H2,32,43)(H,39,42)(H,40,45)(H,41,44)(H4,33,34,37)(H4,35,36,38)/t22-,23-,24-/m0/s1
    MOLECULAR FORMULA
    C30H43ClN10O4
    CROSS REFERENCES
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    canSAR152305

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 642.32
    AlogP 0.47
    HBond donors 13
    HBond acceptors 14
    Atoms 88
    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 canSAR152305.