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canSAR152414
FEATURES
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NAMES
    SMILES
    CC(=S)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O
    InChI
    InChI=1S/C29H51N9O6S/c1-17(2)13-24(28(42)35-18(3)29(43)44)38-27(41)23(10-6-8-12-33-19(4)45)37-26(40)22(9-5-7-11-30)36-25(39)21(31)14-20-15-32-16-34-20/h15-18,21-24H,5-14,30-31H2,1-4H3,(H,32,34)(H,33,45)(H,35,42)(H,36,39)(H,37,40)(H,38,41)(H,43,44)/t18-,21-,22-,23-,24-/m0/s1
    MOLECULAR FORMULA
    C29H51N9O6S
    CROSS REFERENCES
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    canSAR152414

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 653.37
    AlogP -0.39
    HBond donors 11
    HBond acceptors 15
    Atoms 96
    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 canSAR152414.