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canSAR1521002
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NAMES
    SMILES
    COCCOc1cc(CC2CCN(CCc3ccc4occc(=O)c4c3)CC2)ccc1Br.Cl
    InChI
    InChI=1S/C26H30BrNO4.ClH/c1-30-14-15-32-26-18-21(2-4-23(26)27)16-20-7-11-28(12-8-20)10-6-19-3-5-25-22(17-19)24(29)9-13-31-25;/h2-5,9,13,17-18,20H,6-8,10-12,14-16H2,1H3;1H
    MOLECULAR FORMULA
    C26H31BrClNO4
    CROSS REFERENCES
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    canSAR1521002

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 535.11
    AlogP 5.50
    HBond donors 0
    HBond acceptors 5
    Atoms 64
    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 canSAR1521002.