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canSAR101617
FEATURES
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NAMES
    SMILES
    CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)O)C(C)C)C(C)(C)C)C(C)(C)c1cc(C)cc(C)c1
    InChI
    InChI=1S/C29H47N3O4/c1-17(2)22(16-20(5)27(35)36)32(12)26(34)24(28(6,7)8)31-25(33)23(30-11)29(9,10)21-14-18(3)13-19(4)15-21/h13-17,22-24,30H,1-12H3,(H,31,33)(H,35,36)/b20-16+/t22-,23-,24-/m1/s1
    MOLECULAR FORMULA
    C29H47N3O4
    CROSS REFERENCES
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    canSAR101617

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 501.36
    AlogP 4.21
    HBond donors 3
    HBond acceptors 7
    Atoms 83
    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 canSAR101617.