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canSAR792211
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NAMES
    SMILES
    O=C(N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21)C(O)(c1ccccc1)C1CCCCCC1
    InChI
    InChI=1S/C27H34N2O2/c30-26(27(31,22-15-9-4-10-16-22)21-13-7-1-2-8-14-21)28-25-23-18-29(19-24(23)25)17-20-11-5-3-6-12-20/h3-6,9-12,15-16,21,23-25,31H,1-2,7-8,13-14,17-19H2,(H,28,30)/t23-,24+,25+,27?
    MOLECULAR FORMULA
    C27H34N2O2
    CROSS REFERENCES
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    canSAR792211

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 418.26
    AlogP 4.09
    HBond donors 2
    HBond acceptors 4
    Atoms 65
    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 canSAR792211.