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canSAR1012929
FEATURES
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NAMES
    SMILES
    C[C@@](C(=O)O[C@H]1C[N+]2(CCCCc3ccccc3)CCC1CC2)(c1ccccc1)N1CCCCC1
    InChI
    InChI=1S/C31H43N2O2/c1-31(28-16-7-3-8-17-28,32-20-10-4-11-21-32)30(34)35-29-25-33(23-18-27(29)19-24-33)22-12-9-15-26-13-5-2-6-14-26/h2-3,5-8,13-14,16-17,27,29H,4,9-12,15,18-25H2,1H3/q+1/t27?,29-,31-,33?/m0/s1
    MOLECULAR FORMULA
    C31H43N2O2+
    CROSS REFERENCES
    1012929 logo

    canSAR1012929

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 475.33
    AlogP 5.56
    HBond donors 0
    HBond acceptors 4
    Atoms 78
    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 canSAR1012929.