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canSAR462321
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCC(=O)/C=C1\[C@@H](O)[C@@H](C(=O)OC)[C@H](CC)N1Cc1ccccc1
    InChI
    InChI=1S/C29H45NO4/c1-4-6-7-8-9-10-11-12-13-17-20-24(31)21-26-28(32)27(29(33)34-3)25(5-2)30(26)22-23-18-15-14-16-19-23/h14-16,18-19,21,25,27-28,32H,4-13,17,20,22H2,1-3H3/b26-21+/t25-,27-,28+/m0/s1
    MOLECULAR FORMULA
    C29H45NO4
    CROSS REFERENCES
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    canSAR462321

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 471.33
    AlogP 6.19
    HBond donors 1
    HBond acceptors 5
    Atoms 79
    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 canSAR462321.