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canSAR646002
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NAMES
    SMILES
    Br.CC(C)(CN1CCCCC1)C(=O)/C=C/c1ccc(/C=C/C(=O)C(C)(C)CN2CCCCC2)cc1
    InChI
    InChI=1S/C30H44N2O2.BrH/c1-29(2,23-31-19-7-5-8-20-31)27(33)17-15-25-11-13-26(14-12-25)16-18-28(34)30(3,4)24-32-21-9-6-10-22-32;/h11-18H,5-10,19-24H2,1-4H3;1H/b17-15+,18-16+;
    MOLECULAR FORMULA
    C30H45BrN2O2
    CROSS REFERENCES
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    canSAR646002

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 544.27
    AlogP 6.45
    HBond donors 0
    HBond acceptors 4
    Atoms 80
    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 canSAR646002.