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canSAR12083
FEATURES
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NAMES
    SMILES
    CC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CC1CCCCC1)[C@H](O)[C@H](O)CN=[N+]=[N-]
    InChI
    InChI=1S/C30H44N8O5/c1-19(2)28(41)36-24(14-21-11-7-4-8-12-21)29(42)37-25(15-22-16-32-18-33-22)30(43)35-23(13-20-9-5-3-6-10-20)27(40)26(39)17-34-38-31/h4,7-8,11-12,16,18-20,23-27,39-40H,3,5-6,9-10,13-15,17H2,1-2H3,(H,32,33)(H,35,43)(H,36,41)(H,37,42)/t23-,24+,25+,26-,27+/m1/s1
    MOLECULAR FORMULA
    C30H44N8O5
    CROSS REFERENCES
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    canSAR12083

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 596.34
    AlogP 2.31
    HBond donors 6
    HBond acceptors 13
    Atoms 87
    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 canSAR12083.