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canSAR343495
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCC(=O)/C=C1\[C@H](O)[C@@H](C(=O)OC)[C@H](CC)N1CCc1ccccc1
    InChI
    InChI=1S/C30H47NO4/c1-4-6-7-8-9-10-11-12-13-17-20-25(32)23-27-29(33)28(30(34)35-3)26(5-2)31(27)22-21-24-18-15-14-16-19-24/h14-16,18-19,23,26,28-29,33H,4-13,17,20-22H2,1-3H3/b27-23+/t26-,28-,29-/m0/s1
    MOLECULAR FORMULA
    C30H47NO4
    CROSS REFERENCES
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    canSAR343495

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 485.35
    AlogP 6.24
    HBond donors 1
    HBond acceptors 5
    Atoms 82
    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 canSAR343495.