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canSAR1635646
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCC1=C(O)C(=O)C(CC2=C(O)C(=O)C(CCCCCCCCCCC)=C(O)C2=O)=C(O)C1=O
    InChI
    InChI=1S/C35H52O8/c1-3-5-7-9-11-13-15-17-19-21-24-28(36)32(40)26(33(41)29(24)37)23-27-34(42)30(38)25(31(39)35(27)43)22-20-18-16-14-12-10-8-6-4-2/h36,38,41,43H,3-23H2,1-2H3
    MOLECULAR FORMULA
    C35H52O8
    CROSS REFERENCES
    1635646 logo

    canSAR1635646

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 600.37
    AlogP 8.77
    HBond donors 4
    HBond acceptors 8
    Atoms 95
    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 canSAR1635646.