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canSAR1094918
FEATURES
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NAMES
    SMILES
    CCCCCCCC(=O)CCCCCC/C=C/[C@H](C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)O)[C@@](O)(CC(=O)O)C(=O)O
    InChI
    InChI=1S/C35H47NO9/c1-2-3-4-7-10-19-27(37)20-11-8-5-6-9-12-22-29(35(45,34(43)44)24-31(38)39)32(40)36-30(33(41)42)23-26-18-15-17-25-16-13-14-21-28(25)26/h12-18,21-22,29-30,45H,2-11,19-20,23-24H2,1H3,(H,36,40)(H,38,39)(H,41,42)(H,43,44)/b22-12+/t29-,30+,35+/m1/s1
    MOLECULAR FORMULA
    C35H47NO9
    CROSS REFERENCES
    1094918 logo

    canSAR1094918

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 625.33
    AlogP 5.68
    HBond donors 5
    HBond acceptors 10
    Atoms 92
    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 canSAR1094918.