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canSAR144756
FEATURES
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NAMES
    SMILES
    CCO[C@@H](Cc1ccc(OC/C=C(\C)C#Cc2ccc(-c3ccc(C#C/C(C)=C\COc4ccc(C[C@@H](OCC)C(=O)O)cc4)cc3)cc2)cc1)C(=O)O
    InChI
    InChI=1S/C46H46O8/c1-5-51-43(45(47)48)31-37-15-23-41(24-16-37)53-29-27-33(3)7-9-35-11-19-39(20-12-35)40-21-13-36(14-22-40)10-8-34(4)28-30-54-42-25-17-38(18-26-42)32-44(46(49)50)52-6-2/h11-28,43-44H,5-6,29-32H2,1-4H3,(H,47,48)(H,49,50)/b33-27-,34-28+/t43-,44+/m1/s1
    MOLECULAR FORMULA
    C46H46O8
    CROSS REFERENCES
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    canSAR144756

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 726.32
    AlogP 8.17
    HBond donors 2
    HBond acceptors 8
    Atoms 100
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR144756.