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canSAR671717
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCCCCCCC(=O)OC1=C([C@H]2CC[C@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc2C1=O
    InChI
    InChI=1S/C40H53ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-36(42)45-40-37(38(43)34-19-17-18-20-35(34)39(40)44)32-24-22-30(23-25-32)31-26-28-33(41)29-27-31/h17-20,26-30,32H,2-16,21-25H2,1H3/t30-,32-
    MOLECULAR FORMULA
    C40H53ClO4
    CROSS REFERENCES
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    canSAR671717

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 632.36
    AlogP 11.75
    HBond donors 0
    HBond acceptors 4
    Atoms 98
    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 canSAR671717.